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

; 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_mm_atom_type_a = type { [2 x i8], float, float }
%struct.molfile_plugin_t = type { i32, ptr, ptr, ptr, ptr, i32, i32, i32, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr }
%struct.s_topology = type { ptr, i32, ptr, ptr, ptr, ptr }
%struct.s_pdb = type { ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, i32, i32, i32, i32, i32, float, float, float, float, float, float, [83 x i8], [500 x i8], float, float, float, i32, i32 }
%struct.molfile_atom_t = type { [8 x i8], [16 x i8], [16 x i8], [8 x i8], i32, [8 x i8], [16 x i8], [2 x i8], [16 x i8], i32, [2 x i8], float, float, float, float, float, i32, i32 }
%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 }

@mm_atom_type_ST = external hidden constant [36 x %struct.s_mm_atom_type_a], align 16
@__const.read_topology.optflags = external hidden unnamed_addr constant [8 x i32], align 16
@.str = external hidden unnamed_addr constant [18 x i8], align 1
@api = external hidden global ptr, align 8
@.str.1 = external hidden unnamed_addr constant [6 x i8], align 1
@stdout = external global ptr, align 8
@.str.2 = external hidden unnamed_addr constant [46 x i8], align 1
@stderr = external global ptr, align 8
@.str.3 = external hidden unnamed_addr constant [16 x i8], align 1

; Function Attrs: nounwind uwtable
declare dso_local signext i16 @get_ff_type(ptr noundef) #0

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #1

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #1

; Function Attrs: nounwind uwtable
declare dso_local ptr @init_topology() #0

declare ptr @my_malloc(i64 noundef) #2

; Function Attrs: nounwind uwtable
define dso_local void @read_topology(ptr noundef %0, ptr noundef %1) #0 {
  %3 = alloca ptr, align 8
  %4 = alloca ptr, align 8
  %5 = alloca ptr, align 8
  %6 = alloca [8 x i32], align 16
  %7 = alloca i32, align 4
  %8 = alloca i32, align 4
  %9 = alloca ptr, align 8
  %10 = alloca ptr, align 8
  %11 = alloca i16, align 2
  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) #5
  %12 = call ptr @init_topology()
  store ptr %12, ptr %5, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 32, ptr %6) #5
  call void @llvm.memcpy.p0.p0.i64(ptr align 16 %6, ptr align 16 @__const.read_topology.optflags, i64 32, i1 false)
  %13 = load ptr, ptr %3, align 8, !tbaa !5
  %14 = icmp ne ptr %13, null
  br i1 %14, label %15, label %18

15:                                               ; preds = %2
  %16 = call i32 @molfile_parm7plugin_init()
  %17 = call i32 @molfile_parm7plugin_register(ptr noundef null, ptr noundef @register_cb)
  br label %18

18:                                               ; preds = %15, %2
  call void @llvm.lifetime.start.p0(i64 4, ptr %7) #5
  call void @llvm.lifetime.start.p0(i64 4, ptr %8) #5
  call void @llvm.lifetime.start.p0(i64 8, ptr %9) #5
  %19 = call i32 (ptr, ...) @printf(ptr noundef @.str)
  call void @llvm.lifetime.start.p0(i64 8, ptr %10) #5
  %20 = load ptr, ptr @api, align 8, !tbaa !5
  %21 = getelementptr inbounds %struct.molfile_plugin_t, ptr %20, i32 0, i32 9
  %22 = load ptr, ptr %21, align 8, !tbaa !9
  %23 = load ptr, ptr %3, align 8, !tbaa !5
  %24 = call ptr %22(ptr noundef %23, ptr noundef @.str.1, ptr noundef %7)
  store ptr %24, ptr %10, align 8, !tbaa !5
  %25 = load i32, ptr %7, align 4, !tbaa !12
  %26 = sext i32 %25 to i64
  %27 = mul i64 132, %26
  %28 = call ptr @my_malloc(i64 noundef %27)
  store ptr %28, ptr %9, align 8, !tbaa !5
  %29 = load ptr, ptr @stdout, align 8, !tbaa !5
  %30 = load i32, ptr %7, align 4, !tbaa !12
  %31 = load ptr, ptr %3, align 8, !tbaa !5
  %32 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %29, ptr noundef @.str.2, i32 noundef %30, ptr noundef %31) #5
  %33 = load i32, ptr %7, align 4, !tbaa !12
  %34 = sext i32 %33 to i64
  %35 = mul i64 4, %34
  %36 = call ptr @my_malloc(i64 noundef %35)
  %37 = load ptr, ptr %5, align 8, !tbaa !5
  %38 = getelementptr inbounds %struct.s_topology, ptr %37, i32 0, i32 3
  store ptr %36, ptr %38, align 8, !tbaa !13
  %39 = load i32, ptr %7, align 4, !tbaa !12
  %40 = sext i32 %39 to i64
  %41 = mul i64 4, %40
  %42 = call ptr @my_malloc(i64 noundef %41)
  %43 = load ptr, ptr %5, align 8, !tbaa !5
  %44 = getelementptr inbounds %struct.s_topology, ptr %43, i32 0, i32 4
  store ptr %42, ptr %44, align 8, !tbaa !15
  %45 = load i32, ptr %7, align 4, !tbaa !12
  %46 = sext i32 %45 to i64
  %47 = mul i64 4, %46
  %48 = call ptr @my_malloc(i64 noundef %47)
  %49 = load ptr, ptr %5, align 8, !tbaa !5
  %50 = getelementptr inbounds %struct.s_topology, ptr %49, i32 0, i32 2
  store ptr %48, ptr %50, align 8, !tbaa !16
  %51 = load i32, ptr %7, align 4, !tbaa !12
  %52 = sext i32 %51 to i64
  %53 = mul i64 %52, 8
  %54 = call ptr @my_malloc(i64 noundef %53)
  %55 = load ptr, ptr %5, align 8, !tbaa !5
  %56 = getelementptr inbounds %struct.s_topology, ptr %55, i32 0, i32 5
  store ptr %54, ptr %56, align 8, !tbaa !17
  store i32 0, ptr %8, align 4, !tbaa !12
  br label %57

57:                                               ; preds = %80, %18
  %58 = load i32, ptr %8, align 4, !tbaa !12
  %59 = load i32, ptr %7, align 4, !tbaa !12
  %60 = icmp slt i32 %58, %59
  br i1 %60, label %61, label %83

61:                                               ; preds = %57
  %62 = load ptr, ptr %5, align 8, !tbaa !5
  %63 = getelementptr inbounds %struct.s_topology, ptr %62, i32 0, i32 3
  %64 = load ptr, ptr %63, align 8, !tbaa !13
  %65 = load i32, ptr %8, align 4, !tbaa !12
  %66 = sext i32 %65 to i64
  %67 = getelementptr inbounds float, ptr %64, i64 %66
  store float 0.000000e+00, ptr %67, align 4, !tbaa !18
  %68 = load ptr, ptr %5, align 8, !tbaa !5
  %69 = getelementptr inbounds %struct.s_topology, ptr %68, i32 0, i32 4
  %70 = load ptr, ptr %69, align 8, !tbaa !15
  %71 = load i32, ptr %8, align 4, !tbaa !12
  %72 = sext i32 %71 to i64
  %73 = getelementptr inbounds float, ptr %70, i64 %72
  store float 0.000000e+00, ptr %73, align 4, !tbaa !18
  %74 = load ptr, ptr %5, align 8, !tbaa !5
  %75 = getelementptr inbounds %struct.s_topology, ptr %74, i32 0, i32 2
  %76 = load ptr, ptr %75, align 8, !tbaa !16
  %77 = load i32, ptr %8, align 4, !tbaa !12
  %78 = sext i32 %77 to i64
  %79 = getelementptr inbounds float, ptr %76, i64 %78
  store float 0.000000e+00, ptr %79, align 4, !tbaa !18
  br label %80

80:                                               ; preds = %61
  %81 = load i32, ptr %8, align 4, !tbaa !12
  %82 = add nsw i32 %81, 1
  store i32 %82, ptr %8, align 4, !tbaa !12
  br label %57, !llvm.loop !20

83:                                               ; preds = %57
  %84 = load ptr, ptr @api, align 8, !tbaa !5
  %85 = getelementptr inbounds %struct.molfile_plugin_t, ptr %84, i32 0, i32 10
  %86 = load ptr, ptr %85, align 8, !tbaa !22
  %87 = load ptr, ptr %10, align 8, !tbaa !5
  %88 = getelementptr inbounds [8 x i32], ptr %6, i64 0, i64 0
  %89 = load ptr, ptr %9, align 8, !tbaa !5
  %90 = call i32 %86(ptr noundef %87, ptr noundef %88, ptr noundef %89)
  %91 = load ptr, ptr @stdout, align 8, !tbaa !5
  %92 = call i32 @fflush(ptr noundef %91)
  %93 = load i32, ptr %7, align 4, !tbaa !12
  %94 = load ptr, ptr %5, align 8, !tbaa !5
  %95 = getelementptr inbounds %struct.s_topology, ptr %94, i32 0, i32 1
  store i32 %93, ptr %95, align 8, !tbaa !23
  %96 = load ptr, ptr %9, align 8, !tbaa !5
  %97 = load ptr, ptr %5, align 8, !tbaa !5
  %98 = getelementptr inbounds %struct.s_topology, ptr %97, i32 0, i32 0
  store ptr %96, ptr %98, align 8, !tbaa !24
  call void @llvm.lifetime.start.p0(i64 2, ptr %11) #5
  store i32 0, ptr %8, align 4, !tbaa !12
  br label %99

99:                                               ; preds = %300, %83
  %100 = load i32, ptr %8, align 4, !tbaa !12
  %101 = load i32, ptr %7, align 4, !tbaa !12
  %102 = icmp slt i32 %100, %101
  br i1 %102, label %103, label %303

103:                                              ; preds = %99
  %104 = load i32, ptr %8, align 4, !tbaa !12
  %105 = load ptr, ptr %4, align 8, !tbaa !5
  %106 = getelementptr inbounds %struct.s_pdb, ptr %105, i32 0, i32 10
  %107 = load i32, ptr %106, align 4, !tbaa !25
  %108 = icmp slt i32 %104, %107
  br i1 %108, label %109, label %251

109:                                              ; preds = %103
  %110 = load ptr, ptr %9, align 8, !tbaa !5
  %111 = load i32, ptr %8, align 4, !tbaa !12
  %112 = sext i32 %111 to i64
  %113 = getelementptr inbounds %struct.molfile_atom_t, ptr %110, i64 %112
  %114 = getelementptr inbounds %struct.molfile_atom_t, ptr %113, i32 0, i32 14
  %115 = load float, ptr %114, align 4, !tbaa !27
  %116 = load ptr, ptr %4, align 8, !tbaa !5
  %117 = getelementptr inbounds %struct.s_pdb, ptr %116, i32 0, i32 2
  %118 = load ptr, ptr %117, align 8, !tbaa !29
  %119 = load i32, ptr %8, align 4, !tbaa !12
  %120 = sext i32 %119 to i64
  %121 = getelementptr inbounds %struct.s_atm, ptr %118, i64 %120
  %122 = getelementptr inbounds %struct.s_atm, ptr %121, i32 0, i32 32
  store float %115, ptr %122, align 4, !tbaa !30
  %123 = load ptr, ptr %9, align 8, !tbaa !5
  %124 = load i32, ptr %8, align 4, !tbaa !12
  %125 = sext i32 %124 to i64
  %126 = getelementptr inbounds %struct.molfile_atom_t, ptr %123, i64 %125
  %127 = getelementptr inbounds %struct.molfile_atom_t, ptr %126, i32 0, i32 15
  %128 = load float, ptr %127, align 4, !tbaa !33
  %129 = load ptr, ptr %4, align 8, !tbaa !5
  %130 = getelementptr inbounds %struct.s_pdb, ptr %129, i32 0, i32 2
  %131 = load ptr, ptr %130, align 8, !tbaa !29
  %132 = load i32, ptr %8, align 4, !tbaa !12
  %133 = sext i32 %132 to i64
  %134 = getelementptr inbounds %struct.s_atm, ptr %131, i64 %133
  %135 = getelementptr inbounds %struct.s_atm, ptr %134, i32 0, i32 31
  store float %128, ptr %135, align 8, !tbaa !34
  %136 = load ptr, ptr %9, align 8, !tbaa !5
  %137 = load i32, ptr %8, align 4, !tbaa !12
  %138 = sext i32 %137 to i64
  %139 = getelementptr inbounds %struct.molfile_atom_t, ptr %136, i64 %138
  %140 = getelementptr inbounds %struct.molfile_atom_t, ptr %139, i32 0, i32 13
  %141 = load float, ptr %140, align 4, !tbaa !35
  %142 = load ptr, ptr %4, align 8, !tbaa !5
  %143 = getelementptr inbounds %struct.s_pdb, ptr %142, i32 0, i32 2
  %144 = load ptr, ptr %143, align 8, !tbaa !29
  %145 = load i32, ptr %8, align 4, !tbaa !12
  %146 = sext i32 %145 to i64
  %147 = getelementptr inbounds %struct.s_atm, ptr %144, i64 %146
  %148 = getelementptr inbounds %struct.s_atm, ptr %147, i32 0, i32 30
  store float %141, ptr %148, align 4, !tbaa !36
  %149 = load ptr, ptr %9, align 8, !tbaa !5
  %150 = load i32, ptr %8, align 4, !tbaa !12
  %151 = sext i32 %150 to i64
  %152 = getelementptr inbounds %struct.molfile_atom_t, ptr %149, i64 %151
  %153 = getelementptr inbounds %struct.molfile_atom_t, ptr %152, i32 0, i32 2
  %154 = getelementptr inbounds [16 x i8], ptr %153, i64 0, i64 0
  %155 = load ptr, ptr %4, align 8, !tbaa !5
  %156 = getelementptr inbounds %struct.s_pdb, ptr %155, i32 0, i32 2
  %157 = load ptr, ptr %156, align 8, !tbaa !29
  %158 = load i32, ptr %8, align 4, !tbaa !12
  %159 = sext i32 %158 to i64
  %160 = getelementptr inbounds %struct.s_atm, ptr %157, i64 %159
  %161 = getelementptr inbounds %struct.s_atm, ptr %160, i32 0, i32 35
  store ptr %154, ptr %161, align 8, !tbaa !37
  %162 = load ptr, ptr %4, align 8, !tbaa !5
  %163 = getelementptr inbounds %struct.s_pdb, ptr %162, i32 0, i32 2
  %164 = load ptr, ptr %163, align 8, !tbaa !29
  %165 = load i32, ptr %8, align 4, !tbaa !12
  %166 = sext i32 %165 to i64
  %167 = getelementptr inbounds %struct.s_atm, ptr %164, i64 %166
  %168 = getelementptr inbounds %struct.s_atm, ptr %167, i32 0, i32 35
  %169 = load ptr, ptr %168, align 8, !tbaa !37
  call void @str_trim(ptr noundef %169)
  %170 = load ptr, ptr %4, align 8, !tbaa !5
  %171 = getelementptr inbounds %struct.s_pdb, ptr %170, i32 0, i32 2
  %172 = load ptr, ptr %171, align 8, !tbaa !29
  %173 = load i32, ptr %8, align 4, !tbaa !12
  %174 = sext i32 %173 to i64
  %175 = getelementptr inbounds %struct.s_atm, ptr %172, i64 %174
  %176 = getelementptr inbounds %struct.s_atm, ptr %175, i32 0, i32 35
  %177 = load ptr, ptr %176, align 8, !tbaa !37
  %178 = call signext i16 @get_ff_type(ptr noundef %177)
  store i16 %178, ptr %11, align 2, !tbaa !38
  %179 = load i16, ptr %11, align 2, !tbaa !38
  %180 = sext i16 %179 to i32
  %181 = icmp sge i32 %180, 0
  br i1 %181, label %182, label %226

182:                                              ; preds = %109
  %183 = load i16, ptr %11, align 2, !tbaa !38
  %184 = sext i16 %183 to i64
  %185 = getelementptr inbounds [36 x %struct.s_mm_atom_type_a], ptr @mm_atom_type_ST, i64 0, i64 %184
  %186 = getelementptr inbounds %struct.s_mm_atom_type_a, ptr %185, i32 0, i32 2
  %187 = load float, ptr %186, align 4, !tbaa !39
  %188 = load ptr, ptr %4, align 8, !tbaa !5
  %189 = getelementptr inbounds %struct.s_pdb, ptr %188, i32 0, i32 2
  %190 = load ptr, ptr %189, align 8, !tbaa !29
  %191 = load i32, ptr %8, align 4, !tbaa !12
  %192 = sext i32 %191 to i64
  %193 = getelementptr inbounds %struct.s_atm, ptr %190, i64 %192
  %194 = getelementptr inbounds %struct.s_atm, ptr %193, i32 0, i32 33
  store float %187, ptr %194, align 8, !tbaa !41
  %195 = load ptr, ptr %4, align 8, !tbaa !5
  %196 = getelementptr inbounds %struct.s_pdb, ptr %195, i32 0, i32 2
  %197 = load ptr, ptr %196, align 8, !tbaa !29
  %198 = load i32, ptr %8, align 4, !tbaa !12
  %199 = sext i32 %198 to i64
  %200 = getelementptr inbounds %struct.s_atm, ptr %197, i64 %199
  %201 = getelementptr inbounds %struct.s_atm, ptr %200, i32 0, i32 34
  store i16 1, ptr %201, align 4, !tbaa !42
  %202 = load ptr, ptr %4, align 8, !tbaa !5
  %203 = getelementptr inbounds %struct.s_pdb, ptr %202, i32 0, i32 2
  %204 = load ptr, ptr %203, align 8, !tbaa !29
  %205 = load i32, ptr %8, align 4, !tbaa !12
  %206 = sext i32 %205 to i64
  %207 = getelementptr inbounds %struct.s_atm, ptr %204, i64 %206
  %208 = getelementptr inbounds %struct.s_atm, ptr %207, i32 0, i32 31
  %209 = load float, ptr %208, align 8, !tbaa !34
  %210 = fpext float %209 to double
  %211 = fcmp oeq double %210, 0.000000e+00
  br i1 %211, label %212, label %225

212:                                              ; preds = %182
  %213 = load i16, ptr %11, align 2, !tbaa !38
  %214 = sext i16 %213 to i64
  %215 = getelementptr inbounds [36 x %struct.s_mm_atom_type_a], ptr @mm_atom_type_ST, i64 0, i64 %214
  %216 = getelementptr inbounds %struct.s_mm_atom_type_a, ptr %215, i32 0, i32 1
  %217 = load float, ptr %216, align 4, !tbaa !43
  %218 = load ptr, ptr %4, align 8, !tbaa !5
  %219 = getelementptr inbounds %struct.s_pdb, ptr %218, i32 0, i32 2
  %220 = load ptr, ptr %219, align 8, !tbaa !29
  %221 = load i32, ptr %8, align 4, !tbaa !12
  %222 = sext i32 %221 to i64
  %223 = getelementptr inbounds %struct.s_atm, ptr %220, i64 %222
  %224 = getelementptr inbounds %struct.s_atm, ptr %223, i32 0, i32 31
  store float %217, ptr %224, align 8, !tbaa !34
  br label %225

225:                                              ; preds = %212, %182
  br label %250

226:                                              ; preds = %109
  %227 = load ptr, ptr @stderr, align 8, !tbaa !5
  %228 = load ptr, ptr %9, align 8, !tbaa !5
  %229 = load i32, ptr %8, align 4, !tbaa !12
  %230 = sext i32 %229 to i64
  %231 = getelementptr inbounds %struct.molfile_atom_t, ptr %228, i64 %230
  %232 = getelementptr inbounds %struct.molfile_atom_t, ptr %231, i32 0, i32 2
  %233 = getelementptr inbounds [16 x i8], ptr %232, i64 0, i64 0
  %234 = load ptr, ptr %4, align 8, !tbaa !5
  %235 = getelementptr inbounds %struct.s_pdb, ptr %234, i32 0, i32 2
  %236 = load ptr, ptr %235, align 8, !tbaa !29
  %237 = load i32, ptr %8, align 4, !tbaa !12
  %238 = sext i32 %237 to i64
  %239 = getelementptr inbounds %struct.s_atm, ptr %236, i64 %238
  %240 = getelementptr inbounds %struct.s_atm, ptr %239, i32 0, i32 35
  %241 = load ptr, ptr %240, align 8, !tbaa !37
  %242 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %227, ptr noundef @.str.3, ptr noundef %233, ptr noundef %241) #5
  %243 = load ptr, ptr %4, align 8, !tbaa !5
  %244 = getelementptr inbounds %struct.s_pdb, ptr %243, i32 0, i32 2
  %245 = load ptr, ptr %244, align 8, !tbaa !29
  %246 = load i32, ptr %8, align 4, !tbaa !12
  %247 = sext i32 %246 to i64
  %248 = getelementptr inbounds %struct.s_atm, ptr %245, i64 %247
  %249 = getelementptr inbounds %struct.s_atm, ptr %248, i32 0, i32 34
  store i16 0, ptr %249, align 4, !tbaa !42
  br label %250

250:                                              ; preds = %226, %225
  br label %251

251:                                              ; preds = %250, %103
  %252 = load ptr, ptr %9, align 8, !tbaa !5
  %253 = load i32, ptr %8, align 4, !tbaa !12
  %254 = sext i32 %253 to i64
  %255 = getelementptr inbounds %struct.molfile_atom_t, ptr %252, i64 %254
  %256 = getelementptr inbounds %struct.molfile_atom_t, ptr %255, i32 0, i32 14
  %257 = load float, ptr %256, align 4, !tbaa !27
  %258 = load ptr, ptr %5, align 8, !tbaa !5
  %259 = getelementptr inbounds %struct.s_topology, ptr %258, i32 0, i32 3
  %260 = load ptr, ptr %259, align 8, !tbaa !13
  %261 = load i32, ptr %8, align 4, !tbaa !12
  %262 = sext i32 %261 to i64
  %263 = getelementptr inbounds float, ptr %260, i64 %262
  store float %257, ptr %263, align 4, !tbaa !18
  %264 = load ptr, ptr %9, align 8, !tbaa !5
  %265 = load i32, ptr %8, align 4, !tbaa !12
  %266 = sext i32 %265 to i64
  %267 = getelementptr inbounds %struct.molfile_atom_t, ptr %264, i64 %266
  %268 = getelementptr inbounds %struct.molfile_atom_t, ptr %267, i32 0, i32 15
  %269 = load float, ptr %268, align 4, !tbaa !33
  %270 = load ptr, ptr %5, align 8, !tbaa !5
  %271 = getelementptr inbounds %struct.s_topology, ptr %270, i32 0, i32 4
  %272 = load ptr, ptr %271, align 8, !tbaa !15
  %273 = load i32, ptr %8, align 4, !tbaa !12
  %274 = sext i32 %273 to i64
  %275 = getelementptr inbounds float, ptr %272, i64 %274
  store float %269, ptr %275, align 4, !tbaa !18
  %276 = load ptr, ptr %9, align 8, !tbaa !5
  %277 = load i32, ptr %8, align 4, !tbaa !12
  %278 = sext i32 %277 to i64
  %279 = getelementptr inbounds %struct.molfile_atom_t, ptr %276, i64 %278
  %280 = getelementptr inbounds %struct.molfile_atom_t, ptr %279, i32 0, i32 13
  %281 = load float, ptr %280, align 4, !tbaa !35
  %282 = load ptr, ptr %5, align 8, !tbaa !5
  %283 = getelementptr inbounds %struct.s_topology, ptr %282, i32 0, i32 2
  %284 = load ptr, ptr %283, align 8, !tbaa !16
  %285 = load i32, ptr %8, align 4, !tbaa !12
  %286 = sext i32 %285 to i64
  %287 = getelementptr inbounds float, ptr %284, i64 %286
  store float %281, ptr %287, align 4, !tbaa !18
  %288 = load ptr, ptr %9, align 8, !tbaa !5
  %289 = load i32, ptr %8, align 4, !tbaa !12
  %290 = sext i32 %289 to i64
  %291 = getelementptr inbounds %struct.molfile_atom_t, ptr %288, i64 %290
  %292 = getelementptr inbounds %struct.molfile_atom_t, ptr %291, i32 0, i32 2
  %293 = getelementptr inbounds [16 x i8], ptr %292, i64 0, i64 0
  %294 = load ptr, ptr %5, align 8, !tbaa !5
  %295 = getelementptr inbounds %struct.s_topology, ptr %294, i32 0, i32 5
  %296 = load ptr, ptr %295, align 8, !tbaa !17
  %297 = load i32, ptr %8, align 4, !tbaa !12
  %298 = sext i32 %297 to i64
  %299 = getelementptr inbounds ptr, ptr %296, i64 %298
  store ptr %293, ptr %299, align 8, !tbaa !5
  br label %300

300:                                              ; preds = %251
  %301 = load i32, ptr %8, align 4, !tbaa !12
  %302 = add nsw i32 %301, 1
  store i32 %302, ptr %8, align 4, !tbaa !12
  br label %99, !llvm.loop !44

303:                                              ; preds = %99
  call void @llvm.lifetime.end.p0(i64 2, ptr %11) #5
  call void @llvm.lifetime.end.p0(i64 8, ptr %10) #5
  call void @llvm.lifetime.end.p0(i64 8, ptr %9) #5
  call void @llvm.lifetime.end.p0(i64 4, ptr %8) #5
  call void @llvm.lifetime.end.p0(i64 4, ptr %7) #5
  call void @llvm.lifetime.end.p0(i64 32, ptr %6) #5
  call void @llvm.lifetime.end.p0(i64 8, ptr %5) #5
  ret void
}

; Function Attrs: nocallback nofree nounwind willreturn memory(argmem: readwrite)
declare void @llvm.memcpy.p0.p0.i64(ptr noalias nocapture writeonly, ptr noalias nocapture readonly, i64, i1 immarg) #3

declare i32 @molfile_parm7plugin_init() #2

declare i32 @molfile_parm7plugin_register(ptr noundef, ptr noundef) #2

; Function Attrs: nounwind uwtable
declare hidden i32 @register_cb(ptr noundef, ptr noundef) #0

declare i32 @printf(ptr noundef, ...) #2

; Function Attrs: nounwind
declare i32 @fprintf(ptr noundef, ptr noundef, ...) #4

declare i32 @fflush(ptr noundef) #2

declare void @str_trim(ptr noundef) #2

attributes #0 = { 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 #1 = { nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #2 = { "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 = { nocallback nofree nounwind willreturn memory(argmem: readwrite) }
attributes #4 = { 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 #5 = { 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, !6, i64 64}
!10 = !{!"", !11, i64 0, !6, i64 8, !6, i64 16, !6, i64 24, !6, i64 32, !11, i64 40, !11, i64 44, !11, i64 48, !6, i64 56, !6, i64 64, !6, i64 72, !6, i64 80, !6, i64 88, !6, i64 96, !6, i64 104, !6, i64 112, !6, i64 120, !6, i64 128, !6, i64 136, !6, i64 144, !6, i64 152, !6, i64 160, !6, i64 168, !6, i64 176, !6, i64 184, !6, i64 192, !6, i64 200, !6, i64 208, !6, i64 216, !6, i64 224, !6, i64 232, !6, i64 240, !6, i64 248, !6, i64 256, !6, i64 264}
!11 = !{!"int", !7, i64 0}
!12 = !{!11, !11, i64 0}
!13 = !{!14, !6, i64 24}
!14 = !{!"s_topology", !6, i64 0, !11, i64 8, !6, i64 16, !6, i64 24, !6, i64 32, !6, i64 40}
!15 = !{!14, !6, i64 32}
!16 = !{!14, !6, i64 16}
!17 = !{!14, !6, i64 40}
!18 = !{!19, !19, i64 0}
!19 = !{!"float", !7, i64 0}
!20 = distinct !{!20, !21}
!21 = !{!"llvm.loop.mustprogress"}
!22 = !{!10, !6, i64 72}
!23 = !{!14, !11, i64 8}
!24 = !{!14, !6, i64 0}
!25 = !{!26, !11, i64 76}
!26 = !{!"s_pdb", !6, i64 0, !6, i64 8, !6, i64 16, !6, i64 24, !6, i64 32, !6, i64 40, !6, i64 48, !6, i64 56, !6, i64 64, !11, i64 72, !11, i64 76, !11, i64 80, !11, i64 84, !11, i64 88, !19, i64 92, !19, i64 96, !19, i64 100, !19, i64 104, !19, i64 108, !19, i64 112, !7, i64 116, !7, i64 199, !19, i64 700, !19, i64 704, !19, i64 708, !11, i64 712, !11, i64 716}
!27 = !{!28, !19, i64 116}
!28 = !{!"", !7, i64 0, !7, i64 8, !7, i64 24, !7, i64 40, !11, i64 48, !7, i64 52, !7, i64 60, !7, i64 76, !7, i64 78, !11, i64 96, !7, i64 100, !19, i64 104, !19, i64 108, !19, i64 112, !19, i64 116, !19, i64 120, !11, i64 124, !11, i64 128}
!29 = !{!26, !6, i64 16}
!30 = !{!31, !19, i64 156}
!31 = !{!"s_atm", !11, i64 0, !19, i64 4, !19, i64 8, !19, i64 12, !19, i64 16, !19, i64 20, !19, i64 24, !19, i64 28, !7, i64 32, !7, i64 37, !7, i64 44, !7, i64 60, !7, i64 76, !7, i64 79, !11, i64 88, !11, i64 92, !11, i64 96, !11, i64 100, !11, i64 104, !11, i64 108, !11, i64 112, !19, i64 116, !19, i64 120, !19, i64 124, !19, i64 128, !19, i64 132, !19, i64 136, !19, i64 140, !7, i64 144, !7, i64 145, !19, i64 148, !19, i64 152, !19, i64 156, !19, i64 160, !32, i64 164, !6, i64 168, !11, i64 176}
!32 = !{!"short", !7, i64 0}
!33 = !{!28, !19, i64 120}
!34 = !{!31, !19, i64 152}
!35 = !{!28, !19, i64 112}
!36 = !{!31, !19, i64 148}
!37 = !{!31, !6, i64 168}
!38 = !{!32, !32, i64 0}
!39 = !{!40, !19, i64 8}
!40 = !{!"s_mm_atom_type_a", !7, i64 0, !19, i64 4, !19, i64 8}
!41 = !{!31, !19, i64 160}
!42 = !{!31, !32, i64 164}
!43 = !{!40, !19, i64 4}
!44 = distinct !{!44, !21}


; 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"

%struct.s_mm_atom_type_a = type { [2 x i8], float, float }
%struct.molfile_atom_t = type { [8 x i8], [16 x i8], [16 x i8], [8 x i8], i32, [8 x i8], [16 x i8], [2 x i8], [16 x i8], i32, [2 x i8], float, float, float, float, float, i32, i32 }
%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 }

@mm_atom_type_ST = external hidden local_unnamed_addr constant [36 x %struct.s_mm_atom_type_a], align 16
@__const.read_topology.optflags = external hidden unnamed_addr constant [8 x i32], align 16
@.str = external hidden unnamed_addr constant [18 x i8], align 1
@api = external hidden local_unnamed_addr global ptr, align 8
@.str.1 = external hidden unnamed_addr constant [6 x i8], align 1
@stdout = external local_unnamed_addr global ptr, align 8
@.str.2 = external hidden unnamed_addr constant [46 x i8], align 1
@stderr = external local_unnamed_addr global ptr, align 8
@.str.3 = external hidden unnamed_addr constant [16 x i8], align 1

; Function Attrs: nounwind uwtable
declare dso_local signext i16 @get_ff_type(ptr noundef) local_unnamed_addr #0

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #1

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #1

; Function Attrs: nounwind uwtable
declare dso_local ptr @init_topology() local_unnamed_addr #0

declare ptr @my_malloc(i64 noundef) local_unnamed_addr #2

; Function Attrs: nounwind uwtable
define dso_local void @read_topology(ptr noundef %0, ptr nocapture noundef readonly %1) local_unnamed_addr #0 {
  %3 = alloca [8 x i32], align 16
  %4 = alloca i32, align 4
  %5 = tail call ptr @init_topology()
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %3) #5
  call void @llvm.memcpy.p0.p0.i64(ptr noundef nonnull align 16 dereferenceable(32) %3, ptr noundef nonnull align 16 dereferenceable(32) @__const.read_topology.optflags, i64 32, i1 false)
  %.not = icmp eq ptr %0, null
  br i1 %.not, label %9, label %6

6:                                                ; preds = %2
  %7 = tail call i32 @molfile_parm7plugin_init() #5
  %8 = tail call i32 @molfile_parm7plugin_register(ptr noundef null, ptr noundef nonnull @register_cb) #5
  br label %9

9:                                                ; preds = %6, %2
  call void @llvm.lifetime.start.p0(i64 4, ptr nonnull %4) #5
  %10 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str)
  %11 = load ptr, ptr @api, align 8, !tbaa !5
  %12 = getelementptr inbounds i8, ptr %11, i64 64
  %13 = load ptr, ptr %12, align 8, !tbaa !9
  %14 = call ptr %13(ptr noundef %0, ptr noundef nonnull @.str.1, ptr noundef nonnull %4) #5
  %15 = load i32, ptr %4, align 4, !tbaa !12
  %16 = sext i32 %15 to i64
  %17 = mul nsw i64 %16, 132
  %18 = call ptr @my_malloc(i64 noundef %17) #5
  %19 = load ptr, ptr @stdout, align 8, !tbaa !5
  %20 = load i32, ptr %4, align 4, !tbaa !12
  %21 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %19, ptr noundef nonnull @.str.2, i32 noundef %20, ptr noundef %0) #5
  %22 = load i32, ptr %4, align 4, !tbaa !12
  %23 = sext i32 %22 to i64
  %24 = shl nsw i64 %23, 2
  %25 = call ptr @my_malloc(i64 noundef %24) #5
  %26 = getelementptr inbounds i8, ptr %5, i64 24
  store ptr %25, ptr %26, align 8, !tbaa !13
  %27 = load i32, ptr %4, align 4, !tbaa !12
  %28 = sext i32 %27 to i64
  %29 = shl nsw i64 %28, 2
  %30 = call ptr @my_malloc(i64 noundef %29) #5
  %31 = getelementptr inbounds i8, ptr %5, i64 32
  store ptr %30, ptr %31, align 8, !tbaa !15
  %32 = load i32, ptr %4, align 4, !tbaa !12
  %33 = sext i32 %32 to i64
  %34 = shl nsw i64 %33, 2
  %35 = call ptr @my_malloc(i64 noundef %34) #5
  %36 = getelementptr inbounds i8, ptr %5, i64 16
  store ptr %35, ptr %36, align 8, !tbaa !16
  %37 = load i32, ptr %4, align 4, !tbaa !12
  %38 = sext i32 %37 to i64
  %39 = shl nsw i64 %38, 3
  %40 = call ptr @my_malloc(i64 noundef %39) #5
  %41 = getelementptr inbounds i8, ptr %5, i64 40
  store ptr %40, ptr %41, align 8, !tbaa !17
  %42 = load i32, ptr %4, align 4, !tbaa !12
  %43 = icmp sgt i32 %42, 0
  br i1 %43, label %.lr.ph, label %._crit_edge

.lr.ph:                                           ; preds = %9
  %44 = load ptr, ptr %26, align 8, !tbaa !13
  %45 = load ptr, ptr %31, align 8, !tbaa !15
  %46 = load ptr, ptr %36, align 8, !tbaa !16
  %wide.trip.count = zext nneg i32 %42 to i64
  %min.iters.check = icmp ult i32 %42, 12
  br i1 %min.iters.check, label %scalar.ph.preheader, label %vector.memcheck

vector.memcheck:                                  ; preds = %.lr.ph
  %47 = ptrtoint ptr %46 to i64
  %48 = ptrtoint ptr %45 to i64
  %49 = ptrtoint ptr %44 to i64
  %50 = sub i64 %48, %49
  %diff.check = icmp ult i64 %50, 32
  %51 = sub i64 %47, %49
  %diff.check85 = icmp ult i64 %51, 32
  %conflict.rdx = or i1 %diff.check, %diff.check85
  %52 = sub i64 %47, %48
  %diff.check86 = icmp ult i64 %52, 32
  %conflict.rdx87 = or i1 %conflict.rdx, %diff.check86
  br i1 %conflict.rdx87, label %scalar.ph.preheader, label %vector.ph

vector.ph:                                        ; preds = %vector.memcheck
  %n.vec = and i64 %wide.trip.count, 2147483640
  br label %vector.body

vector.body:                                      ; preds = %vector.body, %vector.ph
  %index = phi i64 [ 0, %vector.ph ], [ %index.next, %vector.body ]
  %53 = getelementptr inbounds float, ptr %44, i64 %index
  %54 = getelementptr inbounds i8, ptr %53, i64 16
  store <4 x float> zeroinitializer, ptr %53, align 4, !tbaa !18
  store <4 x float> zeroinitializer, ptr %54, align 4, !tbaa !18
  %55 = getelementptr inbounds float, ptr %45, i64 %index
  %56 = getelementptr inbounds i8, ptr %55, i64 16
  store <4 x float> zeroinitializer, ptr %55, align 4, !tbaa !18
  store <4 x float> zeroinitializer, ptr %56, align 4, !tbaa !18
  %57 = getelementptr inbounds float, ptr %46, i64 %index
  %58 = getelementptr inbounds i8, ptr %57, i64 16
  store <4 x float> zeroinitializer, ptr %57, align 4, !tbaa !18
  store <4 x float> zeroinitializer, ptr %58, align 4, !tbaa !18
  %index.next = add nuw i64 %index, 8
  %59 = icmp eq i64 %index.next, %n.vec
  br i1 %59, label %middle.block, label %vector.body, !llvm.loop !20

middle.block:                                     ; preds = %vector.body
  %cmp.n = icmp eq i64 %n.vec, %wide.trip.count
  br i1 %cmp.n, label %._crit_edge, label %scalar.ph.preheader

scalar.ph.preheader:                              ; preds = %middle.block, %vector.memcheck, %.lr.ph
  %indvars.iv.ph = phi i64 [ 0, %vector.memcheck ], [ 0, %.lr.ph ], [ %n.vec, %middle.block ]
  %xtraiter = and i64 %wide.trip.count, 1
  %lcmp.mod.not = icmp eq i64 %xtraiter, 0
  br i1 %lcmp.mod.not, label %scalar.ph.prol.loopexit, label %scalar.ph.prol

scalar.ph.prol:                                   ; preds = %scalar.ph.preheader
  %60 = getelementptr inbounds float, ptr %44, i64 %indvars.iv.ph
  store float 0.000000e+00, ptr %60, align 4, !tbaa !18
  %61 = getelementptr inbounds float, ptr %45, i64 %indvars.iv.ph
  store float 0.000000e+00, ptr %61, align 4, !tbaa !18
  %62 = getelementptr inbounds float, ptr %46, i64 %indvars.iv.ph
  store float 0.000000e+00, ptr %62, align 4, !tbaa !18
  %indvars.iv.next.prol = or disjoint i64 %indvars.iv.ph, 1
  br label %scalar.ph.prol.loopexit

scalar.ph.prol.loopexit:                          ; preds = %scalar.ph.prol, %scalar.ph.preheader
  %indvars.iv.unr = phi i64 [ %indvars.iv.ph, %scalar.ph.preheader ], [ %indvars.iv.next.prol, %scalar.ph.prol ]
  %63 = add nsw i64 %wide.trip.count, -1
  %64 = icmp eq i64 %indvars.iv.ph, %63
  br i1 %64, label %._crit_edge, label %scalar.ph

scalar.ph:                                        ; preds = %scalar.ph.prol.loopexit, %scalar.ph
  %indvars.iv = phi i64 [ %indvars.iv.next.1, %scalar.ph ], [ %indvars.iv.unr, %scalar.ph.prol.loopexit ]
  %65 = getelementptr inbounds float, ptr %44, i64 %indvars.iv
  store float 0.000000e+00, ptr %65, align 4, !tbaa !18
  %66 = getelementptr inbounds float, ptr %45, i64 %indvars.iv
  store float 0.000000e+00, ptr %66, align 4, !tbaa !18
  %67 = getelementptr inbounds float, ptr %46, i64 %indvars.iv
  store float 0.000000e+00, ptr %67, align 4, !tbaa !18
  %indvars.iv.next = add nuw nsw i64 %indvars.iv, 1
  %68 = getelementptr inbounds float, ptr %44, i64 %indvars.iv.next
  store float 0.000000e+00, ptr %68, align 4, !tbaa !18
  %69 = getelementptr inbounds float, ptr %45, i64 %indvars.iv.next
  store float 0.000000e+00, ptr %69, align 4, !tbaa !18
  %70 = getelementptr inbounds float, ptr %46, i64 %indvars.iv.next
  store float 0.000000e+00, ptr %70, align 4, !tbaa !18
  %indvars.iv.next.1 = add nuw nsw i64 %indvars.iv, 2
  %exitcond.not.1 = icmp eq i64 %indvars.iv.next.1, %wide.trip.count
  br i1 %exitcond.not.1, label %._crit_edge, label %scalar.ph, !llvm.loop !24

._crit_edge:                                      ; preds = %scalar.ph.prol.loopexit, %scalar.ph, %middle.block, %9
  %71 = load ptr, ptr @api, align 8, !tbaa !5
  %72 = getelementptr inbounds i8, ptr %71, i64 72
  %73 = load ptr, ptr %72, align 8, !tbaa !25
  %74 = call i32 %73(ptr noundef %14, ptr noundef nonnull %3, ptr noundef %18) #5
  %75 = load ptr, ptr @stdout, align 8, !tbaa !5
  %76 = call i32 @fflush(ptr noundef %75)
  %77 = load i32, ptr %4, align 4, !tbaa !12
  %78 = getelementptr inbounds i8, ptr %5, i64 8
  store i32 %77, ptr %78, align 8, !tbaa !26
  store ptr %18, ptr %5, align 8, !tbaa !27
  %79 = icmp sgt i32 %77, 0
  br i1 %79, label %.lr.ph79, label %._crit_edge80

.lr.ph79:                                         ; preds = %._crit_edge
  %80 = getelementptr inbounds i8, ptr %1, i64 76
  %81 = getelementptr inbounds i8, ptr %1, i64 16
  br label %82

82:                                               ; preds = %.lr.ph79, %125
  %indvars.iv82 = phi i64 [ 0, %.lr.ph79 ], [ %indvars.iv.next83, %125 ]
  %83 = load i32, ptr %80, align 4, !tbaa !28
  %84 = sext i32 %83 to i64
  %85 = icmp slt i64 %indvars.iv82, %84
  br i1 %85, label %86, label %125

86:                                               ; preds = %82
  %87 = getelementptr inbounds %struct.molfile_atom_t, ptr %18, i64 %indvars.iv82
  %88 = getelementptr inbounds i8, ptr %87, i64 116
  %89 = load ptr, ptr %81, align 8, !tbaa !30
  %90 = getelementptr inbounds %struct.s_atm, ptr %89, i64 %indvars.iv82, i32 31
  %91 = load <2 x float>, ptr %88, align 4, !tbaa !18
  %92 = shufflevector <2 x float> %91, <2 x float> poison, <2 x i32> <i32 1, i32 0>
  store <2 x float> %92, ptr %90, align 8, !tbaa !18
  %93 = getelementptr inbounds i8, ptr %87, i64 112
  %94 = load float, ptr %93, align 4, !tbaa !31
  %95 = getelementptr inbounds %struct.s_atm, ptr %89, i64 %indvars.iv82, i32 30
  store float %94, ptr %95, align 4, !tbaa !33
  %96 = getelementptr inbounds i8, ptr %87, i64 24
  %97 = getelementptr inbounds %struct.s_atm, ptr %89, i64 %indvars.iv82, i32 35
  store ptr %96, ptr %97, align 8, !tbaa !36
  call void @str_trim(ptr noundef nonnull %96) #5
  %98 = load ptr, ptr %81, align 8, !tbaa !30
  %99 = getelementptr inbounds %struct.s_atm, ptr %98, i64 %indvars.iv82, i32 35
  %100 = load ptr, ptr %99, align 8, !tbaa !36
  %101 = call signext i16 @get_ff_type(ptr noundef %100)
  %102 = icmp sgt i16 %101, -1
  br i1 %102, label %103, label %117

103:                                              ; preds = %86
  %104 = zext nneg i16 %101 to i64
  %105 = getelementptr inbounds [36 x %struct.s_mm_atom_type_a], ptr @mm_atom_type_ST, i64 0, i64 %104
  %106 = getelementptr inbounds i8, ptr %105, i64 8
  %107 = load float, ptr %106, align 4, !tbaa !37
  %108 = load ptr, ptr %81, align 8, !tbaa !30
  %109 = getelementptr inbounds %struct.s_atm, ptr %108, i64 %indvars.iv82, i32 33
  store float %107, ptr %109, align 8, !tbaa !39
  %110 = getelementptr inbounds %struct.s_atm, ptr %108, i64 %indvars.iv82, i32 34
  store i16 1, ptr %110, align 4, !tbaa !40
  %111 = getelementptr inbounds %struct.s_atm, ptr %108, i64 %indvars.iv82, i32 31
  %112 = load float, ptr %111, align 8, !tbaa !41
  %113 = fcmp oeq float %112, 0.000000e+00
  br i1 %113, label %114, label %125

114:                                              ; preds = %103
  %115 = getelementptr inbounds i8, ptr %105, i64 4
  %116 = load float, ptr %115, align 4, !tbaa !42
  store float %116, ptr %111, align 8, !tbaa !41
  br label %125

117:                                              ; preds = %86
  %118 = load ptr, ptr @stderr, align 8, !tbaa !5
  %119 = load ptr, ptr %81, align 8, !tbaa !30
  %120 = getelementptr inbounds %struct.s_atm, ptr %119, i64 %indvars.iv82, i32 35
  %121 = load ptr, ptr %120, align 8, !tbaa !36
  %122 = call i32 (ptr, ptr, ...) @fprintf(ptr noundef %118, ptr noundef nonnull @.str.3, ptr noundef nonnull %96, ptr noundef %121) #6
  %123 = load ptr, ptr %81, align 8, !tbaa !30
  %124 = getelementptr inbounds %struct.s_atm, ptr %123, i64 %indvars.iv82, i32 34
  store i16 0, ptr %124, align 4, !tbaa !40
  br label %125

125:                                              ; preds = %117, %114, %103, %82
  %126 = getelementptr inbounds %struct.molfile_atom_t, ptr %18, i64 %indvars.iv82
  %127 = getelementptr inbounds i8, ptr %126, i64 116
  %128 = load float, ptr %127, align 4, !tbaa !43
  %129 = load ptr, ptr %26, align 8, !tbaa !13
  %130 = getelementptr inbounds float, ptr %129, i64 %indvars.iv82
  store float %128, ptr %130, align 4, !tbaa !18
  %131 = getelementptr inbounds i8, ptr %126, i64 120
  %132 = load float, ptr %131, align 4, !tbaa !44
  %133 = load ptr, ptr %31, align 8, !tbaa !15
  %134 = getelementptr inbounds float, ptr %133, i64 %indvars.iv82
  store float %132, ptr %134, align 4, !tbaa !18
  %135 = getelementptr inbounds i8, ptr %126, i64 112
  %136 = load float, ptr %135, align 4, !tbaa !31
  %137 = load ptr, ptr %36, align 8, !tbaa !16
  %138 = getelementptr inbounds float, ptr %137, i64 %indvars.iv82
  store float %136, ptr %138, align 4, !tbaa !18
  %139 = getelementptr inbounds i8, ptr %126, i64 24
  %140 = load ptr, ptr %41, align 8, !tbaa !17
  %141 = getelementptr inbounds ptr, ptr %140, i64 %indvars.iv82
  store ptr %139, ptr %141, align 8, !tbaa !5
  %indvars.iv.next83 = add nuw nsw i64 %indvars.iv82, 1
  %142 = load i32, ptr %4, align 4, !tbaa !12
  %143 = sext i32 %142 to i64
  %144 = icmp slt i64 %indvars.iv.next83, %143
  br i1 %144, label %82, label %._crit_edge80, !llvm.loop !45

._crit_edge80:                                    ; preds = %125, %._crit_edge
  call void @llvm.lifetime.end.p0(i64 4, ptr nonnull %4) #5
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %3) #5
  ret void
}

; Function Attrs: mustprogress nocallback nofree nounwind willreturn memory(argmem: readwrite)
declare void @llvm.memcpy.p0.p0.i64(ptr noalias nocapture writeonly, ptr noalias nocapture readonly, i64, i1 immarg) #3

declare i32 @molfile_parm7plugin_init() local_unnamed_addr #2

declare i32 @molfile_parm7plugin_register(ptr noundef, ptr noundef) local_unnamed_addr #2

; Function Attrs: nounwind uwtable
declare hidden i32 @register_cb(ptr noundef, ptr noundef) #0

; Function Attrs: nofree nounwind
declare noundef i32 @printf(ptr nocapture noundef readonly, ...) local_unnamed_addr #4

; Function Attrs: nofree nounwind
declare noundef i32 @fprintf(ptr nocapture noundef, ptr nocapture noundef readonly, ...) local_unnamed_addr #4

; Function Attrs: nofree nounwind
declare noundef i32 @fflush(ptr nocapture noundef) local_unnamed_addr #4

declare void @str_trim(ptr noundef) local_unnamed_addr #2

attributes #0 = { 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 #1 = { mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #2 = { "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 = { mustprogress nocallback nofree nounwind willreturn memory(argmem: readwrite) }
attributes #4 = { 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 #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, !6, i64 0}
!6 = !{!"any pointer", !7, i64 0}
!7 = !{!"omnipotent char", !8, i64 0}
!8 = !{!"Simple C/C++ TBAA"}
!9 = !{!10, !6, i64 64}
!10 = !{!"", !11, i64 0, !6, i64 8, !6, i64 16, !6, i64 24, !6, i64 32, !11, i64 40, !11, i64 44, !11, i64 48, !6, i64 56, !6, i64 64, !6, i64 72, !6, i64 80, !6, i64 88, !6, i64 96, !6, i64 104, !6, i64 112, !6, i64 120, !6, i64 128, !6, i64 136, !6, i64 144, !6, i64 152, !6, i64 160, !6, i64 168, !6, i64 176, !6, i64 184, !6, i64 192, !6, i64 200, !6, i64 208, !6, i64 216, !6, i64 224, !6, i64 232, !6, i64 240, !6, i64 248, !6, i64 256, !6, i64 264}
!11 = !{!"int", !7, i64 0}
!12 = !{!11, !11, i64 0}
!13 = !{!14, !6, i64 24}
!14 = !{!"s_topology", !6, i64 0, !11, i64 8, !6, i64 16, !6, i64 24, !6, i64 32, !6, i64 40}
!15 = !{!14, !6, i64 32}
!16 = !{!14, !6, i64 16}
!17 = !{!14, !6, i64 40}
!18 = !{!19, !19, i64 0}
!19 = !{!"float", !7, i64 0}
!20 = distinct !{!20, !21, !22, !23}
!21 = !{!"llvm.loop.mustprogress"}
!22 = !{!"llvm.loop.isvectorized", i32 1}
!23 = !{!"llvm.loop.unroll.runtime.disable"}
!24 = distinct !{!24, !21, !22}
!25 = !{!10, !6, i64 72}
!26 = !{!14, !11, i64 8}
!27 = !{!14, !6, i64 0}
!28 = !{!29, !11, i64 76}
!29 = !{!"s_pdb", !6, i64 0, !6, i64 8, !6, i64 16, !6, i64 24, !6, i64 32, !6, i64 40, !6, i64 48, !6, i64 56, !6, i64 64, !11, i64 72, !11, i64 76, !11, i64 80, !11, i64 84, !11, i64 88, !19, i64 92, !19, i64 96, !19, i64 100, !19, i64 104, !19, i64 108, !19, i64 112, !7, i64 116, !7, i64 199, !19, i64 700, !19, i64 704, !19, i64 708, !11, i64 712, !11, i64 716}
!30 = !{!29, !6, i64 16}
!31 = !{!32, !19, i64 112}
!32 = !{!"", !7, i64 0, !7, i64 8, !7, i64 24, !7, i64 40, !11, i64 48, !7, i64 52, !7, i64 60, !7, i64 76, !7, i64 78, !11, i64 96, !7, i64 100, !19, i64 104, !19, i64 108, !19, i64 112, !19, i64 116, !19, i64 120, !11, i64 124, !11, i64 128}
!33 = !{!34, !19, i64 148}
!34 = !{!"s_atm", !11, i64 0, !19, i64 4, !19, i64 8, !19, i64 12, !19, i64 16, !19, i64 20, !19, i64 24, !19, i64 28, !7, i64 32, !7, i64 37, !7, i64 44, !7, i64 60, !7, i64 76, !7, i64 79, !11, i64 88, !11, i64 92, !11, i64 96, !11, i64 100, !11, i64 104, !11, i64 108, !11, i64 112, !19, i64 116, !19, i64 120, !19, i64 124, !19, i64 128, !19, i64 132, !19, i64 136, !19, i64 140, !7, i64 144, !7, i64 145, !19, i64 148, !19, i64 152, !19, i64 156, !19, i64 160, !35, i64 164, !6, i64 168, !11, i64 176}
!35 = !{!"short", !7, i64 0}
!36 = !{!34, !6, i64 168}
!37 = !{!38, !19, i64 8}
!38 = !{!"s_mm_atom_type_a", !7, i64 0, !19, i64 4, !19, i64 8}
!39 = !{!34, !19, i64 160}
!40 = !{!34, !35, i64 164}
!41 = !{!34, !19, i64 152}
!42 = !{!38, !19, i64 4}
!43 = !{!32, !19, i64 116}
!44 = !{!32, !19, i64 120}
!45 = distinct !{!45, !21}


; Effective O3 passes: EarlyCSEPass,GlobalOptPass,IPSCCPPass,IndVarSimplifyPass,InferFunctionAttrsPass,InstCombinePass,JumpThreadingPass,LICMPass,LoopLoadEliminationPass,LoopRotatePass,LoopSimplifyPass,LoopUnrollPass,LoopVectorizePass,PostOrderFunctionAttrsPass,SLPVectorizerPass,SROAPass,SimplifyCFGPass,TailCallElimPass