; LLVM IR from Discngine/fpocket :: src (writepocket)

; Unoptimized IR (clang -disable-llvm-passes):
target datalayout = "e-m:e-p270:32:32-p271:32:32-p272:64:64-i64:64-i128:128-f80:128-n8:16:32:64-S128"
target triple = "x86_64-unknown-linux-gnu"

%struct.s_pocket = type { ptr, ptr, float, float, float, float, [3 x float], i32, i32, i32, i32 }
%struct.c_lst_vertices = type { ptr, ptr, ptr, i64 }
%struct.node_vertice = type { ptr, ptr, ptr }
%struct.s_vvertice = type { i32, i32, i32, i32, i32, float, float, float, float, i32, i32, [4 x i32], [4 x ptr], [3 x float], float }
%struct.s_desc = type { float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, float, i32, [20 x i32], i32, i32, i32, float, float, i32, i32, i32, i32, i32, [255 x i8], [255 x i8], [8 x i8] }
%struct.s_atm = type { i32, float, float, float, float, float, float, float, [5 x i8], [7 x i8], [16 x i8], [16 x i8], [3 x i8], [8 x i8], i32, i32, i32, i32, i32, i32, i32, float, float, float, float, float, float, float, i8, i8, float, float, float, float, i16, ptr, i32 }

@stderr = external global ptr, align 8
@.str.5 = external hidden unnamed_addr constant [36 x i8], align 1
@.str.6 = external hidden unnamed_addr constant [2 x i8], align 1
@.str.8 = external hidden unnamed_addr constant [49 x i8], align 1
@.str.9 = external hidden unnamed_addr constant [12 x i8], align 1
@.str.10 = external hidden unnamed_addr constant [3 x i8], align 1
@atomSiteHeader = external hidden constant [372 x i8], align 16
@.str.14 = external hidden unnamed_addr constant [4 x i8], align 1
@.str.49 = external hidden unnamed_addr constant [7 x i8], align 1
@.str.50 = external hidden unnamed_addr constant [25 x i8], align 1
@.str.51 = external hidden unnamed_addr constant [78 x i8], align 1
@.str.52 = external hidden unnamed_addr constant [76 x i8], align 1
@.str.53 = external hidden unnamed_addr constant [77 x i8], align 1
@.str.54 = external hidden unnamed_addr constant [35 x i8], align 1
@.str.55 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.56 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.57 = external hidden unnamed_addr constant [46 x i8], align 1
@.str.58 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.59 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.60 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.61 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.62 = external hidden unnamed_addr constant [46 x i8], align 1
@.str.63 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.64 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.65 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.66 = external hidden unnamed_addr constant [46 x i8], align 1
@.str.67 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.68 = external hidden unnamed_addr constant [46 x i8], align 1
@.str.69 = external hidden unnamed_addr constant [47 x i8], align 1

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #0

; Function Attrs: nounwind uwtable
define dso_local void @write_pocket_mmcif(ptr noundef %0, ptr noundef %1) #1 {
  %3 = alloca ptr, align 8
  %4 = alloca ptr, align 8
  %5 = alloca ptr, align 8
  %6 = alloca i32, align 4
  %7 = alloca i32, align 4
  %8 = alloca i32, align 4
  %9 = alloca ptr, align 8
  %10 = alloca ptr, align 8
  %11 = alloca [250 x i8], align 16
  %12 = alloca ptr, align 8
  store ptr %0, ptr %3, align 8, !tbaa !5
  store ptr %1, ptr %4, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 8, ptr %5) #4
  store ptr null, ptr %5, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 4, ptr %6) #4
  store i32 0, ptr %6, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 4, ptr %7) #4
  store i32 0, ptr %7, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 4, ptr %8) #4
  store i32 10, ptr %8, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 8, ptr %9) #4
  %13 = call ptr @my_malloc(i64 noundef 80)
  store ptr %13, ptr %9, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 8, ptr %10) #4
  store ptr null, ptr %10, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 250, ptr %11) #4
  call void @llvm.lifetime.start.p0(i64 8, ptr %12) #4
  %14 = load ptr, ptr %3, align 8, !tbaa !5
  %15 = call noalias ptr @fopen(ptr noundef %14, ptr noundef @.str.6)
  store ptr %15, ptr %12, align 8, !tbaa !5
  %16 = getelementptr inbounds [250 x i8], ptr %11, i64 0, i64 0
  %17 = load ptr, ptr %3, align 8, !tbaa !5
  %18 = call ptr @strcpy(ptr noundef %16, ptr noundef %17) #4
  %19 = getelementptr inbounds [250 x i8], ptr %11, i64 0, i64 0
  call void @remove_ext(ptr noundef %19)
  %20 = getelementptr inbounds [250 x i8], ptr %11, i64 0, i64 0
  call void @remove_path(ptr noundef %20)
  %21 = load ptr, ptr %12, align 8, !tbaa !5
  %22 = icmp ne ptr %21, null
  br i1 %22, label %23, label %307

23:                                               ; preds = %2
  %24 = load ptr, ptr %4, align 8, !tbaa !5
  %25 = icmp ne ptr %24, null
  br i1 %25, label %26, label %307

26:                                               ; preds = %23
  %27 = load ptr, ptr %12, align 8, !tbaa !5
  %28 = getelementptr inbounds [250 x i8], ptr %11, i64 0, i64 0
  %29 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %27, ptr noundef @.str.9, ptr noundef %28) #4
  %30 = load ptr, ptr %12, align 8, !tbaa !5
  %31 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %30, ptr noundef @.str.49) #4
  %32 = load ptr, ptr %12, align 8, !tbaa !5
  %33 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %32, ptr noundef @.str.50) #4
  %34 = load ptr, ptr %12, align 8, !tbaa !5
  %35 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %34, ptr noundef @.str.51) #4
  %36 = load ptr, ptr %12, align 8, !tbaa !5
  %37 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %36, ptr noundef @.str.52) #4
  %38 = load ptr, ptr %12, align 8, !tbaa !5
  %39 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %38, ptr noundef @.str.53) #4
  %40 = load ptr, ptr %12, align 8, !tbaa !5
  %41 = load ptr, ptr %4, align 8, !tbaa !5
  %42 = getelementptr inbounds %struct.s_pocket, ptr %41, i32 0, i32 1
  %43 = load ptr, ptr %42, align 8, !tbaa !11
  %44 = getelementptr inbounds %struct.c_lst_vertices, ptr %43, i32 0, i32 0
  %45 = load ptr, ptr %44, align 8, !tbaa !14
  %46 = getelementptr inbounds %struct.node_vertice, ptr %45, i32 0, i32 2
  %47 = load ptr, ptr %46, align 8, !tbaa !17
  %48 = getelementptr inbounds %struct.s_vvertice, ptr %47, i32 0, i32 0
  %49 = load i32, ptr %48, align 8, !tbaa !19
  %50 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %40, ptr noundef @.str.54, i32 noundef %49) #4
  %51 = load ptr, ptr %12, align 8, !tbaa !5
  %52 = load ptr, ptr %4, align 8, !tbaa !5
  %53 = getelementptr inbounds %struct.s_pocket, ptr %52, i32 0, i32 2
  %54 = load float, ptr %53, align 8, !tbaa !21
  %55 = fpext float %54 to double
  %56 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %51, ptr noundef @.str.55, double noundef %55) #4
  %57 = load ptr, ptr %12, align 8, !tbaa !5
  %58 = load ptr, ptr %4, align 8, !tbaa !5
  %59 = getelementptr inbounds %struct.s_pocket, ptr %58, i32 0, i32 0
  %60 = load ptr, ptr %59, align 8, !tbaa !22
  %61 = getelementptr inbounds %struct.s_desc, ptr %60, i32 0, i32 33
  %62 = load float, ptr %61, align 4, !tbaa !23
  %63 = fpext float %62 to double
  %64 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %57, ptr noundef @.str.56, double noundef %63) #4
  %65 = load ptr, ptr %12, align 8, !tbaa !5
  %66 = load ptr, ptr %4, align 8, !tbaa !5
  %67 = getelementptr inbounds %struct.s_pocket, ptr %66, i32 0, i32 0
  %68 = load ptr, ptr %67, align 8, !tbaa !22
  %69 = getelementptr inbounds %struct.s_desc, ptr %68, i32 0, i32 29
  %70 = load i32, ptr %69, align 4, !tbaa !25
  %71 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %65, ptr noundef @.str.57, i32 noundef %70) #4
  %72 = load ptr, ptr %12, align 8, !tbaa !5
  %73 = load ptr, ptr %4, align 8, !tbaa !5
  %74 = getelementptr inbounds %struct.s_pocket, ptr %73, i32 0, i32 0
  %75 = load ptr, ptr %74, align 8, !tbaa !22
  %76 = getelementptr inbounds %struct.s_desc, ptr %75, i32 0, i32 5
  %77 = load float, ptr %76, align 4, !tbaa !26
  %78 = fpext float %77 to double
  %79 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %72, ptr noundef @.str.58, double noundef %78) #4
  %80 = load ptr, ptr %12, align 8, !tbaa !5
  %81 = load ptr, ptr %4, align 8, !tbaa !5
  %82 = getelementptr inbounds %struct.s_pocket, ptr %81, i32 0, i32 0
  %83 = load ptr, ptr %82, align 8, !tbaa !22
  %84 = getelementptr inbounds %struct.s_desc, ptr %83, i32 0, i32 6
  %85 = load float, ptr %84, align 4, !tbaa !27
  %86 = fpext float %85 to double
  %87 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %80, ptr noundef @.str.59, double noundef %86) #4
  %88 = load ptr, ptr %12, align 8, !tbaa !5
  %89 = load ptr, ptr %4, align 8, !tbaa !5
  %90 = getelementptr inbounds %struct.s_pocket, ptr %89, i32 0, i32 0
  %91 = load ptr, ptr %90, align 8, !tbaa !22
  %92 = getelementptr inbounds %struct.s_desc, ptr %91, i32 0, i32 11
  %93 = load float, ptr %92, align 4, !tbaa !28
  %94 = fpext float %93 to double
  %95 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %88, ptr noundef @.str.60, double noundef %94) #4
  %96 = load ptr, ptr %12, align 8, !tbaa !5
  %97 = load ptr, ptr %4, align 8, !tbaa !5
  %98 = getelementptr inbounds %struct.s_pocket, ptr %97, i32 0, i32 0
  %99 = load ptr, ptr %98, align 8, !tbaa !22
  %100 = getelementptr inbounds %struct.s_desc, ptr %99, i32 0, i32 0
  %101 = load float, ptr %100, align 4, !tbaa !29
  %102 = fpext float %101 to double
  %103 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %96, ptr noundef @.str.61, double noundef %102) #4
  %104 = load ptr, ptr %12, align 8, !tbaa !5
  %105 = load ptr, ptr %4, align 8, !tbaa !5
  %106 = getelementptr inbounds %struct.s_pocket, ptr %105, i32 0, i32 0
  %107 = load ptr, ptr %106, align 8, !tbaa !22
  %108 = getelementptr inbounds %struct.s_desc, ptr %107, i32 0, i32 30
  %109 = load i32, ptr %108, align 4, !tbaa !30
  %110 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %104, ptr noundef @.str.62, i32 noundef %109) #4
  %111 = load ptr, ptr %12, align 8, !tbaa !5
  %112 = load ptr, ptr %4, align 8, !tbaa !5
  %113 = getelementptr inbounds %struct.s_pocket, ptr %112, i32 0, i32 0
  %114 = load ptr, ptr %113, align 8, !tbaa !22
  %115 = getelementptr inbounds %struct.s_desc, ptr %114, i32 0, i32 1
  %116 = load float, ptr %115, align 4, !tbaa !31
  %117 = fpext float %116 to double
  %118 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %111, ptr noundef @.str.63, double noundef %117) #4
  %119 = load ptr, ptr %12, align 8, !tbaa !5
  %120 = load ptr, ptr %4, align 8, !tbaa !5
  %121 = getelementptr inbounds %struct.s_pocket, ptr %120, i32 0, i32 0
  %122 = load ptr, ptr %121, align 8, !tbaa !22
  %123 = getelementptr inbounds %struct.s_desc, ptr %122, i32 0, i32 2
  %124 = load float, ptr %123, align 4, !tbaa !32
  %125 = fpext float %124 to double
  %126 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %119, ptr noundef @.str.64, double noundef %125) #4
  %127 = load ptr, ptr %12, align 8, !tbaa !5
  %128 = load ptr, ptr %4, align 8, !tbaa !5
  %129 = getelementptr inbounds %struct.s_pocket, ptr %128, i32 0, i32 0
  %130 = load ptr, ptr %129, align 8, !tbaa !22
  %131 = getelementptr inbounds %struct.s_desc, ptr %130, i32 0, i32 3
  %132 = load float, ptr %131, align 4, !tbaa !33
  %133 = fpext float %132 to double
  %134 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %127, ptr noundef @.str.65, double noundef %133) #4
  %135 = load ptr, ptr %12, align 8, !tbaa !5
  %136 = load ptr, ptr %4, align 8, !tbaa !5
  %137 = getelementptr inbounds %struct.s_pocket, ptr %136, i32 0, i32 0
  %138 = load ptr, ptr %137, align 8, !tbaa !22
  %139 = getelementptr inbounds %struct.s_desc, ptr %138, i32 0, i32 31
  %140 = load i32, ptr %139, align 4, !tbaa !34
  %141 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %135, ptr noundef @.str.66, i32 noundef %140) #4
  %142 = load ptr, ptr %12, align 8, !tbaa !5
  %143 = load ptr, ptr %4, align 8, !tbaa !5
  %144 = getelementptr inbounds %struct.s_pocket, ptr %143, i32 0, i32 0
  %145 = load ptr, ptr %144, align 8, !tbaa !22
  %146 = getelementptr inbounds %struct.s_desc, ptr %145, i32 0, i32 8
  %147 = load float, ptr %146, align 4, !tbaa !35
  %148 = fpext float %147 to double
  %149 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %142, ptr noundef @.str.67, double noundef %148) #4
  %150 = load ptr, ptr %12, align 8, !tbaa !5
  %151 = load ptr, ptr %4, align 8, !tbaa !5
  %152 = getelementptr inbounds %struct.s_pocket, ptr %151, i32 0, i32 9
  %153 = load i32, ptr %152, align 4, !tbaa !36
  %154 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %150, ptr noundef @.str.68, i32 noundef %153) #4
  %155 = load ptr, ptr %12, align 8, !tbaa !5
  %156 = load ptr, ptr %4, align 8, !tbaa !5
  %157 = getelementptr inbounds %struct.s_pocket, ptr %156, i32 0, i32 0
  %158 = load ptr, ptr %157, align 8, !tbaa !22
  %159 = getelementptr inbounds %struct.s_desc, ptr %158, i32 0, i32 7
  %160 = load float, ptr %159, align 4, !tbaa !37
  %161 = fpext float %160 to double
  %162 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %155, ptr noundef @.str.69, double noundef %161) #4
  %163 = load ptr, ptr %12, align 8, !tbaa !5
  %164 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %163, ptr noundef @.str.14) #4
  %165 = load ptr, ptr %4, align 8, !tbaa !5
  %166 = getelementptr inbounds %struct.s_pocket, ptr %165, i32 0, i32 1
  %167 = load ptr, ptr %166, align 8, !tbaa !11
  %168 = getelementptr inbounds %struct.c_lst_vertices, ptr %167, i32 0, i32 0
  %169 = load ptr, ptr %168, align 8, !tbaa !14
  store ptr %169, ptr %5, align 8, !tbaa !5
  %170 = load ptr, ptr %12, align 8, !tbaa !5
  %171 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %170, ptr noundef @.str.10, ptr noundef @atomSiteHeader) #4
  br label %172

172:                                              ; preds = %226, %26
  %173 = load ptr, ptr %5, align 8, !tbaa !5
  %174 = icmp ne ptr %173, null
  br i1 %174, label %175, label %230

175:                                              ; preds = %172
  store i32 0, ptr %6, align 4, !tbaa !9
  br label %176

176:                                              ; preds = %223, %175
  %177 = load i32, ptr %6, align 4, !tbaa !9
  %178 = icmp slt i32 %177, 4
  br i1 %178, label %179, label %226

179:                                              ; preds = %176
  %180 = load ptr, ptr %9, align 8, !tbaa !5
  %181 = load i32, ptr %7, align 4, !tbaa !9
  %182 = load ptr, ptr %5, align 8, !tbaa !5
  %183 = getelementptr inbounds %struct.node_vertice, ptr %182, i32 0, i32 2
  %184 = load ptr, ptr %183, align 8, !tbaa !17
  %185 = getelementptr inbounds %struct.s_vvertice, ptr %184, i32 0, i32 12
  %186 = load i32, ptr %6, align 4, !tbaa !9
  %187 = sext i32 %186 to i64
  %188 = getelementptr inbounds [4 x ptr], ptr %185, i64 0, i64 %187
  %189 = load ptr, ptr %188, align 8, !tbaa !5
  %190 = getelementptr inbounds %struct.s_atm, ptr %189, i32 0, i32 14
  %191 = load i32, ptr %190, align 8, !tbaa !38
  %192 = call i32 @is_in_lst_atm(ptr noundef %180, i32 noundef %181, i32 noundef %191)
  %193 = icmp ne i32 %192, 0
  br i1 %193, label %222, label %194

194:                                              ; preds = %179
  %195 = load i32, ptr %7, align 4, !tbaa !9
  %196 = load i32, ptr %8, align 4, !tbaa !9
  %197 = sub nsw i32 %196, 1
  %198 = icmp sge i32 %195, %197
  br i1 %198, label %199, label %207

199:                                              ; preds = %194
  %200 = load i32, ptr %8, align 4, !tbaa !9
  %201 = mul nsw i32 %200, 2
  store i32 %201, ptr %8, align 4, !tbaa !9
  %202 = load ptr, ptr %9, align 8, !tbaa !5
  %203 = load i32, ptr %8, align 4, !tbaa !9
  %204 = sext i32 %203 to i64
  %205 = mul i64 184, %204
  %206 = call ptr @my_realloc(ptr noundef %202, i64 noundef %205)
  store ptr %206, ptr %9, align 8, !tbaa !5
  br label %207

207:                                              ; preds = %199, %194
  %208 = load ptr, ptr %5, align 8, !tbaa !5
  %209 = getelementptr inbounds %struct.node_vertice, ptr %208, i32 0, i32 2
  %210 = load ptr, ptr %209, align 8, !tbaa !17
  %211 = getelementptr inbounds %struct.s_vvertice, ptr %210, i32 0, i32 12
  %212 = load i32, ptr %6, align 4, !tbaa !9
  %213 = sext i32 %212 to i64
  %214 = getelementptr inbounds [4 x ptr], ptr %211, i64 0, i64 %213
  %215 = load ptr, ptr %214, align 8, !tbaa !5
  %216 = load ptr, ptr %9, align 8, !tbaa !5
  %217 = load i32, ptr %7, align 4, !tbaa !9
  %218 = sext i32 %217 to i64
  %219 = getelementptr inbounds ptr, ptr %216, i64 %218
  store ptr %215, ptr %219, align 8, !tbaa !5
  %220 = load i32, ptr %7, align 4, !tbaa !9
  %221 = add nsw i32 %220, 1
  store i32 %221, ptr %7, align 4, !tbaa !9
  br label %222

222:                                              ; preds = %207, %179
  br label %223

223:                                              ; preds = %222
  %224 = load i32, ptr %6, align 4, !tbaa !9
  %225 = add nsw i32 %224, 1
  store i32 %225, ptr %6, align 4, !tbaa !9
  br label %176, !llvm.loop !41

226:                                              ; preds = %176
  %227 = load ptr, ptr %5, align 8, !tbaa !5
  %228 = getelementptr inbounds %struct.node_vertice, ptr %227, i32 0, i32 0
  %229 = load ptr, ptr %228, align 8, !tbaa !43
  store ptr %229, ptr %5, align 8, !tbaa !5
  br label %172, !llvm.loop !44

230:                                              ; preds = %172
  store i32 0, ptr %6, align 4, !tbaa !9
  br label %231

231:                                              ; preds = %299, %230
  %232 = load i32, ptr %6, align 4, !tbaa !9
  %233 = load i32, ptr %7, align 4, !tbaa !9
  %234 = icmp slt i32 %232, %233
  br i1 %234, label %235, label %302

235:                                              ; preds = %231
  %236 = load ptr, ptr %9, align 8, !tbaa !5
  %237 = load i32, ptr %6, align 4, !tbaa !9
  %238 = sext i32 %237 to i64
  %239 = getelementptr inbounds ptr, ptr %236, i64 %238
  %240 = load ptr, ptr %239, align 8, !tbaa !5
  store ptr %240, ptr %10, align 8, !tbaa !5
  %241 = load ptr, ptr %12, align 8, !tbaa !5
  %242 = load ptr, ptr %10, align 8, !tbaa !5
  %243 = getelementptr inbounds %struct.s_atm, ptr %242, i32 0, i32 9
  %244 = getelementptr inbounds [7 x i8], ptr %243, i64 0, i64 0
  %245 = load ptr, ptr %10, align 8, !tbaa !5
  %246 = getelementptr inbounds %struct.s_atm, ptr %245, i32 0, i32 14
  %247 = load i32, ptr %246, align 8, !tbaa !38
  %248 = load ptr, ptr %10, align 8, !tbaa !5
  %249 = getelementptr inbounds %struct.s_atm, ptr %248, i32 0, i32 8
  %250 = getelementptr inbounds [5 x i8], ptr %249, i64 0, i64 0
  %251 = load ptr, ptr %10, align 8, !tbaa !5
  %252 = getelementptr inbounds %struct.s_atm, ptr %251, i32 0, i32 29
  %253 = load i8, ptr %252, align 1, !tbaa !45
  %254 = load ptr, ptr %10, align 8, !tbaa !5
  %255 = getelementptr inbounds %struct.s_atm, ptr %254, i32 0, i32 13
  %256 = getelementptr inbounds [8 x i8], ptr %255, i64 0, i64 0
  %257 = load ptr, ptr %10, align 8, !tbaa !5
  %258 = getelementptr inbounds %struct.s_atm, ptr %257, i32 0, i32 10
  %259 = getelementptr inbounds [16 x i8], ptr %258, i64 0, i64 0
  %260 = load ptr, ptr %10, align 8, !tbaa !5
  %261 = getelementptr inbounds %struct.s_atm, ptr %260, i32 0, i32 16
  %262 = load i32, ptr %261, align 8, !tbaa !46
  %263 = load ptr, ptr %10, align 8, !tbaa !5
  %264 = getelementptr inbounds %struct.s_atm, ptr %263, i32 0, i32 11
  %265 = getelementptr inbounds [16 x i8], ptr %264, i64 0, i64 0
  %266 = load ptr, ptr %10, align 8, !tbaa !5
  %267 = getelementptr inbounds %struct.s_atm, ptr %266, i32 0, i32 17
  %268 = load i32, ptr %267, align 4, !tbaa !47
  %269 = load ptr, ptr %10, align 8, !tbaa !5
  %270 = getelementptr inbounds %struct.s_atm, ptr %269, i32 0, i32 28
  %271 = load i8, ptr %270, align 8, !tbaa !48
  %272 = load ptr, ptr %10, align 8, !tbaa !5
  %273 = getelementptr inbounds %struct.s_atm, ptr %272, i32 0, i32 5
  %274 = load float, ptr %273, align 4, !tbaa !49
  %275 = load ptr, ptr %10, align 8, !tbaa !5
  %276 = getelementptr inbounds %struct.s_atm, ptr %275, i32 0, i32 6
  %277 = load float, ptr %276, align 8, !tbaa !50
  %278 = load ptr, ptr %10, align 8, !tbaa !5
  %279 = getelementptr inbounds %struct.s_atm, ptr %278, i32 0, i32 7
  %280 = load float, ptr %279, align 4, !tbaa !51
  %281 = load ptr, ptr %10, align 8, !tbaa !5
  %282 = getelementptr inbounds %struct.s_atm, ptr %281, i32 0, i32 26
  %283 = load float, ptr %282, align 8, !tbaa !52
  %284 = load ptr, ptr %10, align 8, !tbaa !5
  %285 = getelementptr inbounds %struct.s_atm, ptr %284, i32 0, i32 25
  %286 = load float, ptr %285, align 4, !tbaa !53
  %287 = load ptr, ptr %10, align 8, !tbaa !5
  %288 = getelementptr inbounds %struct.s_atm, ptr %287, i32 0, i32 20
  %289 = load i32, ptr %288, align 8, !tbaa !54
  %290 = load ptr, ptr %10, align 8, !tbaa !5
  %291 = getelementptr inbounds %struct.s_atm, ptr %290, i32 0, i32 12
  %292 = getelementptr inbounds [3 x i8], ptr %291, i64 0, i64 0
  %293 = load ptr, ptr %10, align 8, !tbaa !5
  %294 = getelementptr inbounds %struct.s_atm, ptr %293, i32 0, i32 19
  %295 = load i32, ptr %294, align 4, !tbaa !55
  %296 = load ptr, ptr %10, align 8, !tbaa !5
  %297 = getelementptr inbounds %struct.s_atm, ptr %296, i32 0, i32 27
  %298 = load float, ptr %297, align 4, !tbaa !56
  call void @write_mmcif_atom_line(ptr noundef %241, ptr noundef %244, i32 noundef %247, ptr noundef %250, i8 noundef signext %253, ptr noundef %256, ptr noundef %259, i32 noundef %262, ptr noundef %265, i32 noundef %268, i8 noundef signext %271, float noundef %274, float noundef %277, float noundef %280, float noundef %283, float noundef %286, i32 noundef %289, ptr noundef %292, i32 noundef %295, float noundef %298)
  br label %299

299:                                              ; preds = %235
  %300 = load i32, ptr %6, align 4, !tbaa !9
  %301 = add nsw i32 %300, 1
  store i32 %301, ptr %6, align 4, !tbaa !9
  br label %231, !llvm.loop !57

302:                                              ; preds = %231
  %303 = load ptr, ptr %12, align 8, !tbaa !5
  %304 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %303, ptr noundef @.str.14) #4
  %305 = load ptr, ptr %12, align 8, !tbaa !5
  %306 = call i32 @fclose(ptr noundef %305)
  br label %318

307:                                              ; preds = %23, %2
  %308 = load ptr, ptr %12, align 8, !tbaa !5
  %309 = icmp ne ptr %308, null
  br i1 %309, label %314, label %310

310:                                              ; preds = %307
  %311 = load ptr, ptr @stderr, align 8, !tbaa !5
  %312 = load ptr, ptr %3, align 8, !tbaa !5
  %313 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %311, ptr noundef @.str.5, ptr noundef %312) #4
  br label %317

314:                                              ; preds = %307
  %315 = load ptr, ptr @stderr, align 8, !tbaa !5
  %316 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %315, ptr noundef @.str.8) #4
  br label %317

317:                                              ; preds = %314, %310
  br label %318

318:                                              ; preds = %317, %302
  %319 = load ptr, ptr %9, align 8, !tbaa !5
  call void @my_free(ptr noundef %319)
  call void @llvm.lifetime.end.p0(i64 8, ptr %12) #4
  call void @llvm.lifetime.end.p0(i64 250, ptr %11) #4
  call void @llvm.lifetime.end.p0(i64 8, ptr %10) #4
  call void @llvm.lifetime.end.p0(i64 8, ptr %9) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %8) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %7) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %6) #4
  call void @llvm.lifetime.end.p0(i64 8, ptr %5) #4
  ret void
}

; Function Attrs: nounwind
declare i32 @fprintf(ptr noundef, ptr noundef, ...) #2

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #0

declare noalias ptr @fopen(ptr noundef, ptr noundef) #3

declare i32 @fclose(ptr noundef) #3

declare ptr @my_malloc(i64 noundef) #3

declare void @my_free(ptr noundef) #3

; Function Attrs: nounwind
declare ptr @strcpy(ptr noundef, ptr noundef) #2

declare void @remove_ext(ptr noundef) #3

declare void @remove_path(ptr noundef) #3

declare void @write_mmcif_atom_line(ptr noundef, ptr noundef, i32 noundef, ptr noundef, i8 noundef signext, ptr noundef, ptr noundef, i32 noundef, ptr noundef, i32 noundef, i8 noundef signext, float noundef, float noundef, float noundef, float noundef, float noundef, i32 noundef, ptr noundef, i32 noundef, float noundef) #3

declare i32 @is_in_lst_atm(ptr noundef, i32 noundef, i32 noundef) #3

declare ptr @my_realloc(ptr noundef, i64 noundef) #3

attributes #0 = { nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #2 = { nounwind "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #3 = { "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #4 = { nounwind }

!llvm.module.flags = !{!0, !1, !2, !3}
!llvm.ident = !{!4}

!0 = !{i32 1, !"wchar_size", i32 4}
!1 = !{i32 8, !"PIC Level", i32 2}
!2 = !{i32 7, !"PIE Level", i32 2}
!3 = !{i32 7, !"uwtable", i32 2}
!4 = !{!"clang version 19.1.0 (git@github.com:llvm/llvm-project.git a4bf6cd7cfb1a1421ba92bca9d017b49936c55e4)"}
!5 = !{!6, !6, i64 0}
!6 = !{!"any pointer", !7, i64 0}
!7 = !{!"omnipotent char", !8, i64 0}
!8 = !{!"Simple C/C++ TBAA"}
!9 = !{!10, !10, i64 0}
!10 = !{!"int", !7, i64 0}
!11 = !{!12, !6, i64 8}
!12 = !{!"s_pocket", !6, i64 0, !6, i64 8, !13, i64 16, !13, i64 20, !13, i64 24, !13, i64 28, !7, i64 32, !10, i64 44, !10, i64 48, !10, i64 52, !10, i64 56}
!13 = !{!"float", !7, i64 0}
!14 = !{!15, !6, i64 0}
!15 = !{!"c_lst_vertices", !6, i64 0, !6, i64 8, !6, i64 16, !16, i64 24}
!16 = !{!"long", !7, i64 0}
!17 = !{!18, !6, i64 16}
!18 = !{!"node_vertice", !6, i64 0, !6, i64 8, !6, i64 16}
!19 = !{!20, !10, i64 0}
!20 = !{!"s_vvertice", !10, i64 0, !10, i64 4, !10, i64 8, !10, i64 12, !10, i64 16, !13, i64 20, !13, i64 24, !13, i64 28, !13, i64 32, !10, i64 36, !10, i64 40, !7, i64 44, !7, i64 64, !7, i64 96, !13, i64 108}
!21 = !{!12, !13, i64 16}
!22 = !{!12, !6, i64 0}
!23 = !{!24, !13, i64 208}
!24 = !{!"s_desc", !13, i64 0, !13, i64 4, !13, i64 8, !13, i64 12, !13, i64 16, !13, i64 20, !13, i64 24, !13, i64 28, !13, i64 32, !13, i64 36, !13, i64 40, !13, i64 44, !13, i64 48, !13, i64 52, !13, i64 56, !13, i64 60, !13, i64 64, !13, i64 68, !13, i64 72, !13, i64 76, !13, i64 80, !13, i64 84, !13, i64 88, !13, i64 92, !13, i64 96, !13, i64 100, !13, i64 104, !10, i64 108, !7, i64 112, !10, i64 192, !10, i64 196, !10, i64 200, !13, i64 204, !13, i64 208, !10, i64 212, !10, i64 216, !10, i64 220, !10, i64 224, !10, i64 228, !7, i64 232, !7, i64 487, !7, i64 742}
!25 = !{!24, !10, i64 192}
!26 = !{!24, !13, i64 20}
!27 = !{!24, !13, i64 24}
!28 = !{!24, !13, i64 44}
!29 = !{!24, !13, i64 0}
!30 = !{!24, !10, i64 196}
!31 = !{!24, !13, i64 4}
!32 = !{!24, !13, i64 8}
!33 = !{!24, !13, i64 12}
!34 = !{!24, !10, i64 200}
!35 = !{!24, !13, i64 32}
!36 = !{!12, !10, i64 52}
!37 = !{!24, !13, i64 28}
!38 = !{!39, !10, i64 88}
!39 = !{!"s_atm", !10, i64 0, !13, i64 4, !13, i64 8, !13, i64 12, !13, i64 16, !13, i64 20, !13, i64 24, !13, i64 28, !7, i64 32, !7, i64 37, !7, i64 44, !7, i64 60, !7, i64 76, !7, i64 79, !10, i64 88, !10, i64 92, !10, i64 96, !10, i64 100, !10, i64 104, !10, i64 108, !10, i64 112, !13, i64 116, !13, i64 120, !13, i64 124, !13, i64 128, !13, i64 132, !13, i64 136, !13, i64 140, !7, i64 144, !7, i64 145, !13, i64 148, !13, i64 152, !13, i64 156, !13, i64 160, !40, i64 164, !6, i64 168, !10, i64 176}
!40 = !{!"short", !7, i64 0}
!41 = distinct !{!41, !42}
!42 = !{!"llvm.loop.mustprogress"}
!43 = !{!18, !6, i64 0}
!44 = distinct !{!44, !42}
!45 = !{!39, !7, i64 145}
!46 = !{!39, !10, i64 96}
!47 = !{!39, !10, i64 100}
!48 = !{!39, !7, i64 144}
!49 = !{!39, !13, i64 20}
!50 = !{!39, !13, i64 24}
!51 = !{!39, !13, i64 28}
!52 = !{!39, !13, i64 136}
!53 = !{!39, !13, i64 132}
!54 = !{!39, !10, i64 112}
!55 = !{!39, !10, i64 108}
!56 = !{!39, !13, i64 140}
!57 = distinct !{!57, !42}


; Optimized IR (opt -passes='default<O3>'):
target datalayout = "e-m:e-p270:32:32-p271:32:32-p272:64:64-i64:64-i128:128-f80:128-n8:16:32:64-S128"
target triple = "x86_64-unknown-linux-gnu"

@stderr = external local_unnamed_addr global ptr, align 8
@.str.5 = external hidden unnamed_addr constant [36 x i8], align 1
@.str.6 = external hidden unnamed_addr constant [2 x i8], align 1
@.str.8 = external hidden unnamed_addr constant [49 x i8], align 1
@.str.9 = external hidden unnamed_addr constant [12 x i8], align 1
@.str.10 = external hidden unnamed_addr constant [3 x i8], align 1
@atomSiteHeader = external hidden constant [372 x i8], align 16
@.str.14 = external hidden unnamed_addr constant [4 x i8], align 1
@.str.49 = external hidden unnamed_addr constant [7 x i8], align 1
@.str.50 = external hidden unnamed_addr constant [25 x i8], align 1
@.str.51 = external hidden unnamed_addr constant [78 x i8], align 1
@.str.52 = external hidden unnamed_addr constant [76 x i8], align 1
@.str.53 = external hidden unnamed_addr constant [77 x i8], align 1
@.str.54 = external hidden unnamed_addr constant [35 x i8], align 1
@.str.55 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.56 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.57 = external hidden unnamed_addr constant [46 x i8], align 1
@.str.58 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.59 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.60 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.61 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.62 = external hidden unnamed_addr constant [46 x i8], align 1
@.str.63 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.64 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.65 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.66 = external hidden unnamed_addr constant [46 x i8], align 1
@.str.67 = external hidden unnamed_addr constant [47 x i8], align 1
@.str.68 = external hidden unnamed_addr constant [46 x i8], align 1
@.str.69 = external hidden unnamed_addr constant [47 x i8], align 1

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #0

; Function Attrs: nounwind uwtable
define dso_local void @write_pocket_mmcif(ptr noundef %0, ptr noundef readonly %1) local_unnamed_addr #1 {
  %3 = alloca [250 x i8], align 16
  %4 = tail call ptr @my_malloc(i64 noundef 80) #5
  call void @llvm.lifetime.start.p0(i64 250, ptr nonnull %3) #5
  %5 = tail call noalias ptr @fopen(ptr noundef %0, ptr noundef nonnull @.str.6)
  %6 = call ptr @strcpy(ptr noundef nonnull dereferenceable(1) %3, ptr noundef nonnull dereferenceable(1) %0) #5
  call void @remove_ext(ptr noundef nonnull %3) #5
  call void @remove_path(ptr noundef nonnull %3) #5
  %7 = icmp ne ptr %5, null
  %8 = icmp ne ptr %1, null
  %or.cond = and i1 %8, %7
  br i1 %or.cond, label %9, label %218

9:                                                ; preds = %2
  %10 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.9, ptr noundef nonnull %3) #5
  %11 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.49) #5
  %12 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.50) #5
  %13 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.51) #5
  %14 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.52) #5
  %15 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.53) #5
  %16 = getelementptr inbounds i8, ptr %1, i64 8
  %17 = load ptr, ptr %16, align 8, !tbaa !5
  %18 = load ptr, ptr %17, align 8, !tbaa !12
  %19 = getelementptr inbounds i8, ptr %18, i64 16
  %20 = load ptr, ptr %19, align 8, !tbaa !15
  %21 = load i32, ptr %20, align 8, !tbaa !17
  %22 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.54, i32 noundef %21) #5
  %23 = getelementptr inbounds i8, ptr %1, i64 16
  %24 = load float, ptr %23, align 8, !tbaa !19
  %25 = fpext float %24 to double
  %26 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.55, double noundef %25) #5
  %27 = load ptr, ptr %1, align 8, !tbaa !20
  %28 = getelementptr inbounds i8, ptr %27, i64 208
  %29 = load float, ptr %28, align 4, !tbaa !21
  %30 = fpext float %29 to double
  %31 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.56, double noundef %30) #5
  %32 = load ptr, ptr %1, align 8, !tbaa !20
  %33 = getelementptr inbounds i8, ptr %32, i64 192
  %34 = load i32, ptr %33, align 4, !tbaa !23
  %35 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.57, i32 noundef %34) #5
  %36 = load ptr, ptr %1, align 8, !tbaa !20
  %37 = getelementptr inbounds i8, ptr %36, i64 20
  %38 = load float, ptr %37, align 4, !tbaa !24
  %39 = fpext float %38 to double
  %40 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.58, double noundef %39) #5
  %41 = load ptr, ptr %1, align 8, !tbaa !20
  %42 = getelementptr inbounds i8, ptr %41, i64 24
  %43 = load float, ptr %42, align 4, !tbaa !25
  %44 = fpext float %43 to double
  %45 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.59, double noundef %44) #5
  %46 = load ptr, ptr %1, align 8, !tbaa !20
  %47 = getelementptr inbounds i8, ptr %46, i64 44
  %48 = load float, ptr %47, align 4, !tbaa !26
  %49 = fpext float %48 to double
  %50 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.60, double noundef %49) #5
  %51 = load ptr, ptr %1, align 8, !tbaa !20
  %52 = load float, ptr %51, align 4, !tbaa !27
  %53 = fpext float %52 to double
  %54 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.61, double noundef %53) #5
  %55 = load ptr, ptr %1, align 8, !tbaa !20
  %56 = getelementptr inbounds i8, ptr %55, i64 196
  %57 = load i32, ptr %56, align 4, !tbaa !28
  %58 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.62, i32 noundef %57) #5
  %59 = load ptr, ptr %1, align 8, !tbaa !20
  %60 = getelementptr inbounds i8, ptr %59, i64 4
  %61 = load float, ptr %60, align 4, !tbaa !29
  %62 = fpext float %61 to double
  %63 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.63, double noundef %62) #5
  %64 = load ptr, ptr %1, align 8, !tbaa !20
  %65 = getelementptr inbounds i8, ptr %64, i64 8
  %66 = load float, ptr %65, align 4, !tbaa !30
  %67 = fpext float %66 to double
  %68 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.64, double noundef %67) #5
  %69 = load ptr, ptr %1, align 8, !tbaa !20
  %70 = getelementptr inbounds i8, ptr %69, i64 12
  %71 = load float, ptr %70, align 4, !tbaa !31
  %72 = fpext float %71 to double
  %73 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.65, double noundef %72) #5
  %74 = load ptr, ptr %1, align 8, !tbaa !20
  %75 = getelementptr inbounds i8, ptr %74, i64 200
  %76 = load i32, ptr %75, align 4, !tbaa !32
  %77 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.66, i32 noundef %76) #5
  %78 = load ptr, ptr %1, align 8, !tbaa !20
  %79 = getelementptr inbounds i8, ptr %78, i64 32
  %80 = load float, ptr %79, align 4, !tbaa !33
  %81 = fpext float %80 to double
  %82 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.67, double noundef %81) #5
  %83 = getelementptr inbounds i8, ptr %1, i64 52
  %84 = load i32, ptr %83, align 4, !tbaa !34
  %85 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.68, i32 noundef %84) #5
  %86 = load ptr, ptr %1, align 8, !tbaa !20
  %87 = getelementptr inbounds i8, ptr %86, i64 28
  %88 = load float, ptr %87, align 4, !tbaa !35
  %89 = fpext float %88 to double
  %90 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.69, double noundef %89) #5
  %91 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.14) #5
  %92 = load ptr, ptr %16, align 8, !tbaa !5
  %93 = load ptr, ptr %92, align 8, !tbaa !12
  %94 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef nonnull %5, ptr noundef nonnull @.str.10, ptr noundef nonnull @atomSiteHeader) #5
  %.not112 = icmp eq ptr %93, null
  br i1 %.not112, label %._crit_edge, label %.preheader107

.preheader107:                                    ; preds = %9, %180
  %.0116 = phi ptr [ %181, %180 ], [ %93, %9 ]
  %.093115 = phi ptr [ %.3.3, %180 ], [ %4, %9 ]
  %.094114 = phi i32 [ %.397.3, %180 ], [ 10, %9 ]
  %.098113 = phi i32 [ %.2100.3, %180 ], [ 0, %9 ]
  %95 = getelementptr inbounds i8, ptr %.0116, i64 16
  %96 = load ptr, ptr %95, align 8, !tbaa !15
  %97 = getelementptr inbounds i8, ptr %96, i64 64
  %98 = load ptr, ptr %97, align 8, !tbaa !36
  %99 = getelementptr inbounds i8, ptr %98, i64 88
  %100 = load i32, ptr %99, align 8, !tbaa !37
  %101 = call i32 @is_in_lst_atm(ptr noundef %.093115, i32 noundef %.098113, i32 noundef %100) #5
  %.not105 = icmp eq i32 %101, 0
  br i1 %.not105, label %103, label %117

.preheader:                                       ; preds = %180
  %102 = icmp sgt i32 %.2100.3, 0
  br i1 %102, label %.lr.ph.preheader, label %._crit_edge

.lr.ph.preheader:                                 ; preds = %.preheader
  %wide.trip.count = zext nneg i32 %.2100.3 to i64
  br label %.lr.ph

103:                                              ; preds = %.preheader107
  %104 = add nsw i32 %.094114, -1
  %.not106 = icmp slt i32 %.098113, %104
  br i1 %.not106, label %110, label %105

105:                                              ; preds = %103
  %106 = shl nsw i32 %.094114, 1
  %107 = sext i32 %106 to i64
  %108 = mul nsw i64 %107, 184
  %109 = call ptr @my_realloc(ptr noundef %.093115, i64 noundef %108) #5
  br label %110

110:                                              ; preds = %105, %103
  %.296 = phi i32 [ %106, %105 ], [ %.094114, %103 ]
  %.2 = phi ptr [ %109, %105 ], [ %.093115, %103 ]
  %111 = load ptr, ptr %95, align 8, !tbaa !15
  %112 = getelementptr inbounds i8, ptr %111, i64 64
  %113 = load ptr, ptr %112, align 8, !tbaa !36
  %114 = sext i32 %.098113 to i64
  %115 = getelementptr inbounds ptr, ptr %.2, i64 %114
  store ptr %113, ptr %115, align 8, !tbaa !36
  %116 = add nsw i32 %.098113, 1
  br label %117

117:                                              ; preds = %.preheader107, %110
  %.2100 = phi i32 [ %.098113, %.preheader107 ], [ %116, %110 ]
  %.397 = phi i32 [ %.094114, %.preheader107 ], [ %.296, %110 ]
  %.3 = phi ptr [ %.093115, %.preheader107 ], [ %.2, %110 ]
  %118 = load ptr, ptr %95, align 8, !tbaa !15
  %119 = getelementptr inbounds i8, ptr %118, i64 72
  %120 = load ptr, ptr %119, align 8, !tbaa !36
  %121 = getelementptr inbounds i8, ptr %120, i64 88
  %122 = load i32, ptr %121, align 8, !tbaa !37
  %123 = call i32 @is_in_lst_atm(ptr noundef %.3, i32 noundef %.2100, i32 noundef %122) #5
  %.not105.1 = icmp eq i32 %123, 0
  br i1 %.not105.1, label %124, label %138

124:                                              ; preds = %117
  %125 = add nsw i32 %.397, -1
  %.not106.1 = icmp slt i32 %.2100, %125
  br i1 %.not106.1, label %131, label %126

126:                                              ; preds = %124
  %127 = shl nsw i32 %.397, 1
  %128 = sext i32 %127 to i64
  %129 = mul nsw i64 %128, 184
  %130 = call ptr @my_realloc(ptr noundef %.3, i64 noundef %129) #5
  br label %131

131:                                              ; preds = %126, %124
  %.296.1 = phi i32 [ %127, %126 ], [ %.397, %124 ]
  %.2.1 = phi ptr [ %130, %126 ], [ %.3, %124 ]
  %132 = load ptr, ptr %95, align 8, !tbaa !15
  %133 = getelementptr inbounds i8, ptr %132, i64 72
  %134 = load ptr, ptr %133, align 8, !tbaa !36
  %135 = sext i32 %.2100 to i64
  %136 = getelementptr inbounds ptr, ptr %.2.1, i64 %135
  store ptr %134, ptr %136, align 8, !tbaa !36
  %137 = add nsw i32 %.2100, 1
  br label %138

138:                                              ; preds = %131, %117
  %.2100.1 = phi i32 [ %.2100, %117 ], [ %137, %131 ]
  %.397.1 = phi i32 [ %.397, %117 ], [ %.296.1, %131 ]
  %.3.1 = phi ptr [ %.3, %117 ], [ %.2.1, %131 ]
  %139 = load ptr, ptr %95, align 8, !tbaa !15
  %140 = getelementptr inbounds i8, ptr %139, i64 80
  %141 = load ptr, ptr %140, align 8, !tbaa !36
  %142 = getelementptr inbounds i8, ptr %141, i64 88
  %143 = load i32, ptr %142, align 8, !tbaa !37
  %144 = call i32 @is_in_lst_atm(ptr noundef %.3.1, i32 noundef %.2100.1, i32 noundef %143) #5
  %.not105.2 = icmp eq i32 %144, 0
  br i1 %.not105.2, label %145, label %159

145:                                              ; preds = %138
  %146 = add nsw i32 %.397.1, -1
  %.not106.2 = icmp slt i32 %.2100.1, %146
  br i1 %.not106.2, label %152, label %147

147:                                              ; preds = %145
  %148 = shl nsw i32 %.397.1, 1
  %149 = sext i32 %148 to i64
  %150 = mul nsw i64 %149, 184
  %151 = call ptr @my_realloc(ptr noundef %.3.1, i64 noundef %150) #5
  br label %152

152:                                              ; preds = %147, %145
  %.296.2 = phi i32 [ %148, %147 ], [ %.397.1, %145 ]
  %.2.2 = phi ptr [ %151, %147 ], [ %.3.1, %145 ]
  %153 = load ptr, ptr %95, align 8, !tbaa !15
  %154 = getelementptr inbounds i8, ptr %153, i64 80
  %155 = load ptr, ptr %154, align 8, !tbaa !36
  %156 = sext i32 %.2100.1 to i64
  %157 = getelementptr inbounds ptr, ptr %.2.2, i64 %156
  store ptr %155, ptr %157, align 8, !tbaa !36
  %158 = add nsw i32 %.2100.1, 1
  br label %159

159:                                              ; preds = %152, %138
  %.2100.2 = phi i32 [ %.2100.1, %138 ], [ %158, %152 ]
  %.397.2 = phi i32 [ %.397.1, %138 ], [ %.296.2, %152 ]
  %.3.2 = phi ptr [ %.3.1, %138 ], [ %.2.2, %152 ]
  %160 = load ptr, ptr %95, align 8, !tbaa !15
  %161 = getelementptr inbounds i8, ptr %160, i64 88
  %162 = load ptr, ptr %161, align 8, !tbaa !36
  %163 = getelementptr inbounds i8, ptr %162, i64 88
  %164 = load i32, ptr %163, align 8, !tbaa !37
  %165 = call i32 @is_in_lst_atm(ptr noundef %.3.2, i32 noundef %.2100.2, i32 noundef %164) #5
  %.not105.3 = icmp eq i32 %165, 0
  br i1 %.not105.3, label %166, label %180

166:                                              ; preds = %159
  %167 = add nsw i32 %.397.2, -1
  %.not106.3 = icmp slt i32 %.2100.2, %167
  br i1 %.not106.3, label %173, label %168

168:                                              ; preds = %166
  %169 = shl nsw i32 %.397.2, 1
  %170 = sext i32 %169 to i64
  %171 = mul nsw i64 %170, 184
  %172 = call ptr @my_realloc(ptr noundef %.3.2, i64 noundef %171) #5
  br label %173

173:                                              ; preds = %168, %166
  %.296.3 = phi i32 [ %169, %168 ], [ %.397.2, %166 ]
  %.2.3 = phi ptr [ %172, %168 ], [ %.3.2, %166 ]
  %174 = load ptr, ptr %95, align 8, !tbaa !15
  %175 = getelementptr inbounds i8, ptr %174, i64 88
  %176 = load ptr, ptr %175, align 8, !tbaa !36
  %177 = sext i32 %.2100.2 to i64
  %178 = getelementptr inbounds ptr, ptr %.2.3, i64 %177
  store ptr %176, ptr %178, align 8, !tbaa !36
  %179 = add nsw i32 %.2100.2, 1
  br label %180

180:                                              ; preds = %173, %159
  %.2100.3 = phi i32 [ %.2100.2, %159 ], [ %179, %173 ]
  %.397.3 = phi i32 [ %.397.2, %159 ], [ %.296.3, %173 ]
  %.3.3 = phi ptr [ %.3.2, %159 ], [ %.2.3, %173 ]
  %181 = load ptr, ptr %.0116, align 8, !tbaa !40
  %.not = icmp eq ptr %181, null
  br i1 %.not, label %.preheader, label %.preheader107, !llvm.loop !41

.lr.ph:                                           ; preds = %.lr.ph.preheader, %.lr.ph
  %indvars.iv = phi i64 [ 0, %.lr.ph.preheader ], [ %indvars.iv.next, %.lr.ph ]
  %182 = getelementptr inbounds ptr, ptr %.3.3, i64 %indvars.iv
  %183 = load ptr, ptr %182, align 8, !tbaa !36
  %184 = getelementptr inbounds i8, ptr %183, i64 37
  %185 = getelementptr inbounds i8, ptr %183, i64 88
  %186 = load i32, ptr %185, align 8, !tbaa !37
  %187 = getelementptr inbounds i8, ptr %183, i64 32
  %188 = getelementptr inbounds i8, ptr %183, i64 145
  %189 = load i8, ptr %188, align 1, !tbaa !43
  %190 = getelementptr inbounds i8, ptr %183, i64 79
  %191 = getelementptr inbounds i8, ptr %183, i64 44
  %192 = getelementptr inbounds i8, ptr %183, i64 96
  %193 = load i32, ptr %192, align 8, !tbaa !44
  %194 = getelementptr inbounds i8, ptr %183, i64 60
  %195 = getelementptr inbounds i8, ptr %183, i64 100
  %196 = load i32, ptr %195, align 4, !tbaa !45
  %197 = getelementptr inbounds i8, ptr %183, i64 144
  %198 = load i8, ptr %197, align 8, !tbaa !46
  %199 = getelementptr inbounds i8, ptr %183, i64 20
  %200 = load float, ptr %199, align 4, !tbaa !47
  %201 = getelementptr inbounds i8, ptr %183, i64 24
  %202 = load float, ptr %201, align 8, !tbaa !48
  %203 = getelementptr inbounds i8, ptr %183, i64 28
  %204 = load float, ptr %203, align 4, !tbaa !49
  %205 = getelementptr inbounds i8, ptr %183, i64 136
  %206 = load float, ptr %205, align 8, !tbaa !50
  %207 = getelementptr inbounds i8, ptr %183, i64 132
  %208 = load float, ptr %207, align 4, !tbaa !51
  %209 = getelementptr inbounds i8, ptr %183, i64 112
  %210 = load i32, ptr %209, align 8, !tbaa !52
  %211 = getelementptr inbounds i8, ptr %183, i64 76
  %212 = getelementptr inbounds i8, ptr %183, i64 108
  %213 = load i32, ptr %212, align 4, !tbaa !53
  %214 = getelementptr inbounds i8, ptr %183, i64 140
  %215 = load float, ptr %214, align 4, !tbaa !54
  call void @write_mmcif_atom_line(ptr noundef %5, ptr noundef nonnull %184, i32 noundef %186, ptr noundef nonnull %187, i8 noundef signext %189, ptr noundef nonnull %190, ptr noundef nonnull %191, i32 noundef %193, ptr noundef nonnull %194, i32 noundef %196, i8 noundef signext %198, float noundef %200, float noundef %202, float noundef %204, float noundef %206, float noundef %208, i32 noundef %210, ptr noundef nonnull %211, i32 noundef %213, float noundef %215) #5
  %indvars.iv.next = add nuw nsw i64 %indvars.iv, 1
  %exitcond.not = icmp eq i64 %indvars.iv.next, %wide.trip.count
  br i1 %exitcond.not, label %._crit_edge, label %.lr.ph, !llvm.loop !55

._crit_edge:                                      ; preds = %.lr.ph, %9, %.preheader
  %.093.lcssa123 = phi ptr [ %.3.3, %.preheader ], [ %4, %9 ], [ %.3.3, %.lr.ph ]
  %216 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %5, ptr noundef nonnull @.str.14) #5
  %217 = call i32 @fclose(ptr noundef %5)
  br label %224

218:                                              ; preds = %2
  %219 = load ptr, ptr @stderr, align 8, !tbaa !36
  br i1 %7, label %222, label %220

220:                                              ; preds = %218
  %221 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %219, ptr noundef nonnull @.str.5, ptr noundef %0) #6
  br label %224

222:                                              ; preds = %218
  %223 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %219, ptr noundef nonnull @.str.8) #6
  br label %224

224:                                              ; preds = %220, %222, %._crit_edge
  %.4 = phi ptr [ %.093.lcssa123, %._crit_edge ], [ %4, %222 ], [ %4, %220 ]
  call void @my_free(ptr noundef %.4) #5
  call void @llvm.lifetime.end.p0(i64 250, ptr nonnull %3) #5
  ret void
}

; Function Attrs: nofree nounwind
declare noundef i32 @fprintf(ptr nocapture noundef, ptr nocapture noundef readonly, ...) local_unnamed_addr #2

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #0

; Function Attrs: nofree nounwind
declare noalias noundef ptr @fopen(ptr nocapture noundef readonly, ptr nocapture noundef readonly) local_unnamed_addr #2

; Function Attrs: nofree nounwind
declare noundef i32 @fclose(ptr nocapture noundef) local_unnamed_addr #2

declare ptr @my_malloc(i64 noundef) local_unnamed_addr #3

declare void @my_free(ptr noundef) local_unnamed_addr #3

; Function Attrs: mustprogress nofree nounwind willreturn memory(argmem: readwrite)
declare ptr @strcpy(ptr noalias noundef returned writeonly, ptr noalias nocapture noundef readonly) local_unnamed_addr #4

declare void @remove_ext(ptr noundef) local_unnamed_addr #3

declare void @remove_path(ptr noundef) local_unnamed_addr #3

declare void @write_mmcif_atom_line(ptr noundef, ptr noundef, i32 noundef, ptr noundef, i8 noundef signext, ptr noundef, ptr noundef, i32 noundef, ptr noundef, i32 noundef, i8 noundef signext, float noundef, float noundef, float noundef, float noundef, float noundef, i32 noundef, ptr noundef, i32 noundef, float noundef) local_unnamed_addr #3

declare i32 @is_in_lst_atm(ptr noundef, i32 noundef, i32 noundef) local_unnamed_addr #3

declare ptr @my_realloc(ptr noundef, i64 noundef) local_unnamed_addr #3

attributes #0 = { mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #2 = { nofree nounwind "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #3 = { "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #4 = { mustprogress nofree nounwind willreturn memory(argmem: readwrite) "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #5 = { nounwind }
attributes #6 = { cold nounwind }

!llvm.module.flags = !{!0, !1, !2, !3}
!llvm.ident = !{!4}

!0 = !{i32 1, !"wchar_size", i32 4}
!1 = !{i32 8, !"PIC Level", i32 2}
!2 = !{i32 7, !"PIE Level", i32 2}
!3 = !{i32 7, !"uwtable", i32 2}
!4 = !{!"clang version 19.1.0 (git@github.com:llvm/llvm-project.git a4bf6cd7cfb1a1421ba92bca9d017b49936c55e4)"}
!5 = !{!6, !7, i64 8}
!6 = !{!"s_pocket", !7, i64 0, !7, i64 8, !10, i64 16, !10, i64 20, !10, i64 24, !10, i64 28, !8, i64 32, !11, i64 44, !11, i64 48, !11, i64 52, !11, i64 56}
!7 = !{!"any pointer", !8, i64 0}
!8 = !{!"omnipotent char", !9, i64 0}
!9 = !{!"Simple C/C++ TBAA"}
!10 = !{!"float", !8, i64 0}
!11 = !{!"int", !8, i64 0}
!12 = !{!13, !7, i64 0}
!13 = !{!"c_lst_vertices", !7, i64 0, !7, i64 8, !7, i64 16, !14, i64 24}
!14 = !{!"long", !8, i64 0}
!15 = !{!16, !7, i64 16}
!16 = !{!"node_vertice", !7, i64 0, !7, i64 8, !7, i64 16}
!17 = !{!18, !11, i64 0}
!18 = !{!"s_vvertice", !11, i64 0, !11, i64 4, !11, i64 8, !11, i64 12, !11, i64 16, !10, i64 20, !10, i64 24, !10, i64 28, !10, i64 32, !11, i64 36, !11, i64 40, !8, i64 44, !8, i64 64, !8, i64 96, !10, i64 108}
!19 = !{!6, !10, i64 16}
!20 = !{!6, !7, i64 0}
!21 = !{!22, !10, i64 208}
!22 = !{!"s_desc", !10, i64 0, !10, i64 4, !10, i64 8, !10, i64 12, !10, i64 16, !10, i64 20, !10, i64 24, !10, i64 28, !10, i64 32, !10, i64 36, !10, i64 40, !10, i64 44, !10, i64 48, !10, i64 52, !10, i64 56, !10, i64 60, !10, i64 64, !10, i64 68, !10, i64 72, !10, i64 76, !10, i64 80, !10, i64 84, !10, i64 88, !10, i64 92, !10, i64 96, !10, i64 100, !10, i64 104, !11, i64 108, !8, i64 112, !11, i64 192, !11, i64 196, !11, i64 200, !10, i64 204, !10, i64 208, !11, i64 212, !11, i64 216, !11, i64 220, !11, i64 224, !11, i64 228, !8, i64 232, !8, i64 487, !8, i64 742}
!23 = !{!22, !11, i64 192}
!24 = !{!22, !10, i64 20}
!25 = !{!22, !10, i64 24}
!26 = !{!22, !10, i64 44}
!27 = !{!22, !10, i64 0}
!28 = !{!22, !11, i64 196}
!29 = !{!22, !10, i64 4}
!30 = !{!22, !10, i64 8}
!31 = !{!22, !10, i64 12}
!32 = !{!22, !11, i64 200}
!33 = !{!22, !10, i64 32}
!34 = !{!6, !11, i64 52}
!35 = !{!22, !10, i64 28}
!36 = !{!7, !7, i64 0}
!37 = !{!38, !11, i64 88}
!38 = !{!"s_atm", !11, i64 0, !10, i64 4, !10, i64 8, !10, i64 12, !10, i64 16, !10, i64 20, !10, i64 24, !10, i64 28, !8, i64 32, !8, i64 37, !8, i64 44, !8, i64 60, !8, i64 76, !8, i64 79, !11, i64 88, !11, i64 92, !11, i64 96, !11, i64 100, !11, i64 104, !11, i64 108, !11, i64 112, !10, i64 116, !10, i64 120, !10, i64 124, !10, i64 128, !10, i64 132, !10, i64 136, !10, i64 140, !8, i64 144, !8, i64 145, !10, i64 148, !10, i64 152, !10, i64 156, !10, i64 160, !39, i64 164, !7, i64 168, !11, i64 176}
!39 = !{!"short", !8, i64 0}
!40 = !{!16, !7, i64 0}
!41 = distinct !{!41, !42}
!42 = !{!"llvm.loop.mustprogress"}
!43 = !{!38, !8, i64 145}
!44 = !{!38, !11, i64 96}
!45 = !{!38, !11, i64 100}
!46 = !{!38, !8, i64 144}
!47 = !{!38, !10, i64 20}
!48 = !{!38, !10, i64 24}
!49 = !{!38, !10, i64 28}
!50 = !{!38, !10, i64 136}
!51 = !{!38, !10, i64 132}
!52 = !{!38, !11, i64 112}
!53 = !{!38, !11, i64 108}
!54 = !{!38, !10, i64 140}
!55 = distinct !{!55, !42}


; Effective O3 passes: CorrelatedValuePropagationPass,EarlyCSEPass,GVNPass,GlobalOptPass,IPSCCPPass,IndVarSimplifyPass,InferFunctionAttrsPass,InstCombinePass,InstSimplifyPass,JumpThreadingPass,LCSSAPass,LICMPass,LoopRotatePass,LoopSimplifyPass,LoopUnrollPass,PostOrderFunctionAttrsPass,ReassociatePass,SROAPass,SimplifyCFGPass,TailCallElimPass