#define NULL ((void *)0)
typedef unsigned long size_t; // Customize by platform.
typedef long intptr_t;
typedef unsigned long uintptr_t;
typedef long scalar_t__; // Either arithmetic or pointer type.
/* By default, we understand bool (as a convenience). */
typedef int bool;
#define false 0
#define true 1

/* Forward declarations */

/* Type definitions */

/* Variables and functions */
long find_1st_atom(char *, char **, long, long, char *);
int /*<<< orphan*/ get_atom_xyz(long, long, char *, char **, double **,
                                double *);
void NC_vector(long i, long ib, long ie, char **AtomName, char *bseq,
               double **xyz, double *N_xyz, double *xyz1, double *vector_NC) {
  long j, k, m, n, natm;
  double C_xyz[4];
  static char *RingAtom[9] = {" C4 ", " N3 ", " C2 ", " N1 ", " C6 ",
                              " C5 ", " N7 ", " C8 ", " N9 "};
  get_atom_xyz(ib, ie, " C1'", AtomName, xyz, C_xyz);
  if (bseq[i] == 'A' || bseq[i] == 'G' || bseq[i] == 'a' || bseq[i] == 'g' ||
      bseq[i] == 'I' || bseq[i] == 'i') {
    natm = 9;
    get_atom_xyz(ib, ie, " N9 ", AtomName, xyz, N_xyz);
  } else if (bseq[i] == 'P' || bseq[i] == 'p') {
    natm = 6;
    get_atom_xyz(ib, ie, " C5 ", AtomName, xyz, N_xyz);
  } else if (bseq[i] == 'U' || bseq[i] == 'u' || bseq[i] == 'C' ||
             bseq[i] == 'c' || bseq[i] == 'T' || bseq[i] == 't') {
    natm = 6;
    get_atom_xyz(ib, ie, " N1 ", AtomName, xyz, N_xyz);
  }
  for (j = 1; j <= 3; j++)
    vector_NC[j] = C_xyz[j] - N_xyz[j];
  n = 0;
  for (k = 1; k <= 3; k++)
    xyz1[k] = 0.0;
  for (m = 0; m < natm; m++) {
    j = find_1st_atom(RingAtom[m], AtomName, ib, ie, "in base ring atoms");
    if (j) {
      n++;
      for (k = 1; k <= 3; k++)
        xyz1[k] = xyz1[k] + xyz[j][k];
    }
  }
  for (k = 1; k <= 3; k++)
    xyz1[k] = xyz1[k] / n;
  return;
}


x86 assembly (clang, -O0):
<NC_vector>:
push   %rbp
mov    %rsp,%rbp
sub    $0x80,%rsp
mov    0x20(%rbp),%rax
mov    0x18(%rbp),%rax
mov    0x10(%rbp),%rax
mov    %rdi,-0x8(%rbp)
mov    %rsi,-0x10(%rbp)
mov    %rdx,-0x18(%rbp)
mov    %rcx,-0x20(%rbp)
mov    %r8,-0x28(%rbp)
mov    %r9,-0x30(%rbp)
mov    -0x10(%rbp),%rdi
mov    -0x18(%rbp),%rsi
mov    -0x20(%rbp),%rcx
mov    -0x30(%rbp),%r8
lea    -0x80(%rbp),%r9
lea    0xec3(%rip),%rdx
call   1040 <get_atom_xyz@plt>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x41,%eax
je     11ed <NC_vector+0xcd>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x47,%eax
je     11ed <NC_vector+0xcd>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x61,%eax
je     11ed <NC_vector+0xcd>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x67,%eax
je     11ed <NC_vector+0xcd>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x49,%eax
je     11ed <NC_vector+0xcd>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x69,%eax
jne    121a <NC_vector+0xfa>
movq   $0x9,-0x58(%rbp)
mov    -0x10(%rbp),%rdi
mov    -0x18(%rbp),%rsi
mov    -0x20(%rbp),%rcx
mov    -0x30(%rbp),%r8
mov    0x10(%rbp),%r9
lea    0xe18(%rip),%rdx
call   1040 <get_atom_xyz@plt>
jmp    1321 <NC_vector+0x201>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x50,%eax
je     1244 <NC_vector+0x124>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x70,%eax
jne    1271 <NC_vector+0x151>
movq   $0x6,-0x58(%rbp)
mov    -0x10(%rbp),%rdi
mov    -0x18(%rbp),%rsi
mov    -0x20(%rbp),%rcx
mov    -0x30(%rbp),%r8
mov    0x10(%rbp),%r9
lea    0xdb2(%rip),%rdx
call   1040 <get_atom_xyz@plt>
jmp    131c <NC_vector+0x1fc>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x55,%eax
je     12ef <NC_vector+0x1cf>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x75,%eax
je     12ef <NC_vector+0x1cf>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x43,%eax
je     12ef <NC_vector+0x1cf>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x63,%eax
je     12ef <NC_vector+0x1cf>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x54,%eax
je     12ef <NC_vector+0x1cf>
mov    -0x28(%rbp),%rax
mov    -0x8(%rbp),%rcx
movsbl (%rax,%rcx,1),%eax
cmp    $0x74,%eax
jne    1317 <NC_vector+0x1f7>
movq   $0x6,-0x58(%rbp)
mov    -0x10(%rbp),%rdi
mov    -0x18(%rbp),%rsi
mov    -0x20(%rbp),%rcx
mov    -0x30(%rbp),%r8
mov    0x10(%rbp),%r9
lea    0xcfd(%rip),%rdx
call   1040 <get_atom_xyz@plt>
jmp    131c <NC_vector+0x1fc>
jmp    1321 <NC_vector+0x201>
movq   $0x1,-0x38(%rbp)
cmpq   $0x3,-0x38(%rbp)
jg     1369 <NC_vector+0x249>
mov    -0x38(%rbp),%rax
movsd  -0x80(%rbp,%rax,8),%xmm0
mov    0x10(%rbp),%rax
mov    -0x38(%rbp),%rcx
subsd  (%rax,%rcx,8),%xmm0
mov    0x20(%rbp),%rax
mov    -0x38(%rbp),%rcx
movsd  %xmm0,(%rax,%rcx,8)
mov    -0x38(%rbp),%rax
add    $0x1,%rax
mov    %rax,-0x38(%rbp)
jmp    1329 <NC_vector+0x209>
movq   $0x0,-0x50(%rbp)
movq   $0x1,-0x40(%rbp)
cmpq   $0x3,-0x40(%rbp)
jg     13a5 <NC_vector+0x285>
mov    0x18(%rbp),%rax
mov    -0x40(%rbp),%rcx
xorps  %xmm0,%xmm0
movsd  %xmm0,(%rax,%rcx,8)
mov    -0x40(%rbp),%rax
add    $0x1,%rax
mov    %rax,-0x40(%rbp)
jmp    1379 <NC_vector+0x259>
movq   $0x0,-0x48(%rbp)
mov    -0x48(%rbp),%rax
cmp    -0x58(%rbp),%rax
jge    146b <NC_vector+0x34b>
mov    -0x48(%rbp),%rcx
lea    0x2c7a(%rip),%rax
mov    (%rax,%rcx,8),%rdi
mov    -0x20(%rbp),%rsi
mov    -0x10(%rbp),%rdx
mov    -0x18(%rbp),%rcx
lea    0xc55(%rip),%r8
call   1030 <find_1st_atom@plt>
mov    %rax,-0x38(%rbp)
cmpq   $0x0,-0x38(%rbp)
je     1455 <NC_vector+0x335>
mov    -0x50(%rbp),%rax
add    $0x1,%rax
mov    %rax,-0x50(%rbp)
movq   $0x1,-0x40(%rbp)
cmpq   $0x3,-0x40(%rbp)
jg     1450 <NC_vector+0x330>
mov    0x18(%rbp),%rax
mov    -0x40(%rbp),%rcx
movsd  (%rax,%rcx,8),%xmm0
mov    -0x30(%rbp),%rax
mov    -0x38(%rbp),%rcx
mov    (%rax,%rcx,8),%rax
mov    -0x40(%rbp),%rcx
addsd  (%rax,%rcx,8),%xmm0
mov    0x18(%rbp),%rax
mov    -0x40(%rbp),%rcx
movsd  %xmm0,(%rax,%rcx,8)
mov    -0x40(%rbp),%rax
add    $0x1,%rax
mov    %rax,-0x40(%rbp)
jmp    1405 <NC_vector+0x2e5>
jmp    1455 <NC_vector+0x335>
jmp    145a <NC_vector+0x33a>
mov    -0x48(%rbp),%rax
add    $0x1,%rax
mov    %rax,-0x48(%rbp)
jmp    13ad <NC_vector+0x28d>
movq   $0x1,-0x40(%rbp)
cmpq   $0x3,-0x40(%rbp)
jg     14b3 <NC_vector+0x393>
mov    0x18(%rbp),%rax
mov    -0x40(%rbp),%rcx
movsd  (%rax,%rcx,8),%xmm0
cvtsi2sdq -0x50(%rbp),%xmm1
divsd  %xmm1,%xmm0
mov    0x18(%rbp),%rax
mov    -0x40(%rbp),%rcx
movsd  %xmm0,(%rax,%rcx,8)
mov    -0x40(%rbp),%rax
add    $0x1,%rax
mov    %rax,-0x40(%rbp)
jmp    1473 <NC_vector+0x353>
add    $0x80,%rsp
pop    %rbp
ret

x86 assembly (clang, -O2):
<NC_vector>:
push   %rbp
push   %r15
push   %r14
push   %r13
push   %r12
push   %rbx
sub    $0x38,%rsp
mov    %r9,%r10
mov    %r8,%r14
mov    %rdx,%rax
mov    %rsi,%rbx
mov    %rdi,%r13
mov    0x78(%rsp),%rbp
mov    0x70(%rsp),%r15
lea    0xf03(%rip),%rdx
lea    0x10(%rsp),%r9
mov    %rsi,%rdi
mov    %rax,0x8(%rsp)
mov    %rax,%rsi
mov    %rcx,%r12
mov    %r10,(%rsp)
mov    %r10,%r8
call   1040 <get_atom_xyz@plt>
mov    (%r14,%r13,1),%cl
xor    %eax,%eax
add    $0xbf,%cl
cmp    $0x34,%cl
ja     130b <NC_vector+0x1eb>
movzbl %cl,%ecx
movabs $0x14100000141,%rdx
bt     %rcx,%rdx
jb     11b1 <NC_vector+0x91>
movabs $0x18000400180004,%rdx
bt     %rcx,%rdx
jae    11c0 <NC_vector+0xa0>
mov    $0x6,%r14d
lea    0xe84(%rip),%rdx
jmp    11dd <NC_vector+0xbd>
mov    $0x9,%r14d
lea    0xe8e(%rip),%rdx
jmp    11dd <NC_vector+0xbd>
movabs $0x800000008000,%rdx
bt     %rcx,%rdx
jae    11f6 <NC_vector+0xd6>
mov    $0x6,%r14d
lea    0xe60(%rip),%rdx
mov    %rbx,%rdi
mov    0x8(%rsp),%rsi
mov    %r12,%rcx
mov    (%rsp),%r8
mov    %r15,%r9
call   1040 <get_atom_xyz@plt>
mov    $0x1,%al
movsd  0x18(%rsp),%xmm0
subsd  0x8(%r15),%xmm0
mov    0x80(%rsp),%rcx
movsd  %xmm0,0x8(%rcx)
movsd  0x20(%rsp),%xmm0
subsd  0x10(%r15),%xmm0
movsd  %xmm0,0x10(%rcx)
movsd  0x28(%rsp),%xmm0
subsd  0x18(%r15),%xmm0
movsd  %xmm0,0x18(%rcx)
xorpd  %xmm0,%xmm0
movupd %xmm0,0x8(%rbp)
movq   $0x0,0x18(%rbp)
test   %al,%al
je     12ce <NC_vector+0x1ae>
lea    0xdaf(%rip),%r15
xor    %r13d,%r13d
jmp    126a <NC_vector+0x14a>
cs nopw 0x0(%rax,%rax,1)
add    $0x4,%r15
add    $0xffffffffffffffff,%r14
je     12d7 <NC_vector+0x1b7>
movslq (%r15),%rdi
lea    0xd8c(%rip),%rax
add    %rax,%rdi
mov    %r12,%rsi
mov    %rbx,%rdx
mov    0x8(%rsp),%rcx
lea    0xdcd(%rip),%r8
call   1030 <find_1st_atom@plt>
test   %rax,%rax
je     1260 <NC_vector+0x140>
mov    (%rsp),%rcx
mov    (%rcx,%rax,8),%rax
movsd  0x8(%rbp),%xmm0
movsd  0x10(%rbp),%xmm1
addsd  0x8(%rax),%xmm0
movsd  %xmm0,0x8(%rbp)
addsd  0x10(%rax),%xmm1
movsd  %xmm1,0x10(%rbp)
movsd  0x18(%rbp),%xmm0
addsd  0x18(%rax),%xmm0
movsd  %xmm0,0x18(%rbp)
add    $0x1,%r13
jmp    1260 <NC_vector+0x140>
xorpd  %xmm1,%xmm1
xor    %r13d,%r13d
jmp    12e1 <NC_vector+0x1c1>
movupd 0x8(%rbp),%xmm0
movsd  0x18(%rbp),%xmm1
cvtsi2sd %r13,%xmm2
divsd  %xmm2,%xmm1
unpcklpd %xmm2,%xmm2
divpd  %xmm2,%xmm0
movupd %xmm0,0x8(%rbp)
movsd  %xmm1,0x18(%rbp)
add    $0x38,%rsp
pop    %rbx
pop    %r12
pop    %r13
pop    %r14
pop    %r15
pop    %rbp
ret
jmp    11f6 <NC_vector+0xd6>

LLVM IR (-O0):
@NC_vector.RingAtom = internal global [9 x i8*] [i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str, i32 0, i32 0), i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.1, i32 0, i32 0), i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.2, i32 0, i32 0), i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.3, i32 0, i32 0), i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.4, i32 0, i32 0), i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.5, i32 0, i32 0), i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.6, i32 0, i32 0), i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.7, i32 0, i32 0), i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.8, i32 0, i32 0)]
@.str = [5 x i8] c" C4 \00"
@.str.1 = [5 x i8] c" N3 \00"
@.str.2 = [5 x i8] c" C2 \00"
@.str.3 = [5 x i8] c" N1 \00"
@.str.4 = [5 x i8] c" C6 \00"
@.str.5 = [5 x i8] c" C5 \00"
@.str.6 = [5 x i8] c" N7 \00"
@.str.7 = [5 x i8] c" C8 \00"
@.str.8 = [5 x i8] c" N9 \00"
@.str.9 = [5 x i8] c" C1'\00"
@.str.10 = [19 x i8] c"in base ring atoms\00"
define void @NC_vector(i64 %0, i64 %1, i64 %2, i8** %3, i8* %4, double** %5, double* %6, double* %7, double* %8) {
%10 = alloca i64
%11 = alloca i64
%12 = alloca i64
%13 = alloca i8**
%14 = alloca i8*
%15 = alloca double**
%16 = alloca double*
%17 = alloca double*
%18 = alloca double*
%19 = alloca i64
%20 = alloca i64
%21 = alloca i64
%22 = alloca i64
%23 = alloca i64
%24 = alloca [4 x double]
store i64 %0, i64* %10
store i64 %1, i64* %11
store i64 %2, i64* %12
store i8** %3, i8*** %13
store i8* %4, i8** %14
store double** %5, double*** %15
store double* %6, double** %16
store double* %7, double** %17
store double* %8, double** %18
%25 = load i64, i64* %11
%26 = load i64, i64* %12
%27 = load i8**, i8*** %13
%28 = load double**, double*** %15
%29 = getelementptr inbounds [4 x double], [4 x double]* %24, i64 0, i64 0
%30 = call i32 @get_atom_xyz(i64 %25, i64 %26, i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.9, i64 0, i64 0), i8** %27, double** %28, double* %29)
%31 = load i8*, i8** %14
%32 = load i64, i64* %10
%33 = getelementptr inbounds i8, i8* %31, i64 %32
%34 = load i8, i8* %33
%35 = sext i8 %34 to i32
%36 = icmp eq i32 %35, 65
br i1 %36, label %72, label %37
37: ; preds = %9
%38 = load i8*, i8** %14
%39 = load i64, i64* %10
%40 = getelementptr inbounds i8, i8* %38, i64 %39
%41 = load i8, i8* %40
%42 = sext i8 %41 to i32
%43 = icmp eq i32 %42, 71
br i1 %43, label %72, label %44
44: ; preds = %37
%45 = load i8*, i8** %14
%46 = load i64, i64* %10
%47 = getelementptr inbounds i8, i8* %45, i64 %46
%48 = load i8, i8* %47
%49 = sext i8 %48 to i32
%50 = icmp eq i32 %49, 97
br i1 %50, label %72, label %51
51: ; preds = %44
%52 = load i8*, i8** %14
%53 = load i64, i64* %10
%54 = getelementptr inbounds i8, i8* %52, i64 %53
%55 = load i8, i8* %54
%56 = sext i8 %55 to i32
%57 = icmp eq i32 %56, 103
br i1 %57, label %72, label %58
58: ; preds = %51
%59 = load i8*, i8** %14
%60 = load i64, i64* %10
%61 = getelementptr inbounds i8, i8* %59, i64 %60
%62 = load i8, i8* %61
%63 = sext i8 %62 to i32
%64 = icmp eq i32 %63, 73
br i1 %64, label %72, label %65
65: ; preds = %58
%66 = load i8*, i8** %14
%67 = load i64, i64* %10
%68 = getelementptr inbounds i8, i8* %66, i64 %67
%69 = load i8, i8* %68
%70 = sext i8 %69 to i32
%71 = icmp eq i32 %70, 105
br i1 %71, label %72, label %79
72: ; preds = %65, %58, %51, %44, %37, %9
store i64 9, i64* %23
%73 = load i64, i64* %11
%74 = load i64, i64* %12
%75 = load i8**, i8*** %13
%76 = load double**, double*** %15
%77 = load double*, double** %16
%78 = call i32 @get_atom_xyz(i64 %73, i64 %74, i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.8, i64 0, i64 0), i8** %75, double** %76, double* %77)
br label %151
79: ; preds = %65
%80 = load i8*, i8** %14
%81 = load i64, i64* %10
%82 = getelementptr inbounds i8, i8* %80, i64 %81
%83 = load i8, i8* %82
%84 = sext i8 %83 to i32
%85 = icmp eq i32 %84, 80
br i1 %85, label %93, label %86
86: ; preds = %79
%87 = load i8*, i8** %14
%88 = load i64, i64* %10
%89 = getelementptr inbounds i8, i8* %87, i64 %88
%90 = load i8, i8* %89
%91 = sext i8 %90 to i32
%92 = icmp eq i32 %91, 112
br i1 %92, label %93, label %100
93: ; preds = %86, %79
store i64 6, i64* %23
%94 = load i64, i64* %11
%95 = load i64, i64* %12
%96 = load i8**, i8*** %13
%97 = load double**, double*** %15
%98 = load double*, double** %16
%99 = call i32 @get_atom_xyz(i64 %94, i64 %95, i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.5, i64 0, i64 0), i8** %96, double** %97, double* %98)
br label %150
100: ; preds = %86
%101 = load i8*, i8** %14
%102 = load i64, i64* %10
%103 = getelementptr inbounds i8, i8* %101, i64 %102
%104 = load i8, i8* %103
%105 = sext i8 %104 to i32
%106 = icmp eq i32 %105, 85
br i1 %106, label %142, label %107
107: ; preds = %100
%108 = load i8*, i8** %14
%109 = load i64, i64* %10
%110 = getelementptr inbounds i8, i8* %108, i64 %109
%111 = load i8, i8* %110
%112 = sext i8 %111 to i32
%113 = icmp eq i32 %112, 117
br i1 %113, label %142, label %114
114: ; preds = %107
%115 = load i8*, i8** %14
%116 = load i64, i64* %10
%117 = getelementptr inbounds i8, i8* %115, i64 %116
%118 = load i8, i8* %117
%119 = sext i8 %118 to i32
%120 = icmp eq i32 %119, 67
br i1 %120, label %142, label %121
121: ; preds = %114
%122 = load i8*, i8** %14
%123 = load i64, i64* %10
%124 = getelementptr inbounds i8, i8* %122, i64 %123
%125 = load i8, i8* %124
%126 = sext i8 %125 to i32
%127 = icmp eq i32 %126, 99
br i1 %127, label %142, label %128
128: ; preds = %121
%129 = load i8*, i8** %14
%130 = load i64, i64* %10
%131 = getelementptr inbounds i8, i8* %129, i64 %130
%132 = load i8, i8* %131
%133 = sext i8 %132 to i32
%134 = icmp eq i32 %133, 84
br i1 %134, label %142, label %135
135: ; preds = %128
%136 = load i8*, i8** %14
%137 = load i64, i64* %10
%138 = getelementptr inbounds i8, i8* %136, i64 %137
%139 = load i8, i8* %138
%140 = sext i8 %139 to i32
%141 = icmp eq i32 %140, 116
br i1 %141, label %142, label %149
142: ; preds = %135, %128, %121, %114, %107, %100
store i64 6, i64* %23
%143 = load i64, i64* %11
%144 = load i64, i64* %12
%145 = load i8**, i8*** %13
%146 = load double**, double*** %15
%147 = load double*, double** %16
%148 = call i32 @get_atom_xyz(i64 %143, i64 %144, i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.3, i64 0, i64 0), i8** %145, double** %146, double* %147)
br label %149
149: ; preds = %142, %135
br label %150
150: ; preds = %149, %93
br label %151
151: ; preds = %150, %72
store i64 1, i64* %19
br label %152
152: ; preds = %167, %151
%153 = load i64, i64* %19
%154 = icmp sle i64 %153, 3
br i1 %154, label %155, label %170
155: ; preds = %152
%156 = load i64, i64* %19
%157 = getelementptr inbounds [4 x double], [4 x double]* %24, i64 0, i64 %156
%158 = load double, double* %157
%159 = load double*, double** %16
%160 = load i64, i64* %19
%161 = getelementptr inbounds double, double* %159, i64 %160
%162 = load double, double* %161
%163 = fsub double %158, %162
%164 = load double*, double** %18
%165 = load i64, i64* %19
%166 = getelementptr inbounds double, double* %164, i64 %165
store double %163, double* %166
br label %167
167: ; preds = %155
%168 = load i64, i64* %19
%169 = add nsw i64 %168, 1
store i64 %169, i64* %19
br label %152
170: ; preds = %152
store i64 0, i64* %22
store i64 1, i64* %20
br label %171
171: ; preds = %178, %170
%172 = load i64, i64* %20
%173 = icmp sle i64 %172, 3
br i1 %173, label %174, label %181
174: ; preds = %171
%175 = load double*, double** %17
%176 = load i64, i64* %20
%177 = getelementptr inbounds double, double* %175, i64 %176
store double 0.000000e+00, double* %177
br label %178
178: ; preds = %174
%179 = load i64, i64* %20
%180 = add nsw i64 %179, 1
store i64 %180, i64* %20
br label %171
181: ; preds = %171
store i64 0, i64* %21
br label %182
182: ; preds = %223, %181
%183 = load i64, i64* %21
%184 = load i64, i64* %23
%185 = icmp slt i64 %183, %184
br i1 %185, label %186, label %226
186: ; preds = %182
%187 = load i64, i64* %21
%188 = getelementptr inbounds [9 x i8*], [9 x i8*]* @NC_vector.RingAtom, i64 0, i64 %187
%189 = load i8*, i8** %188
%190 = load i8**, i8*** %13
%191 = load i64, i64* %11
%192 = load i64, i64* %12
%193 = call i64 @find_1st_atom(i8* %189, i8** %190, i64 %191, i64 %192, i8* getelementptr inbounds ([19 x i8], [19 x i8]* @.str.10, i64 0, i64 0))
store i64 %193, i64* %19
%194 = load i64, i64* %19
%195 = icmp ne i64 %194, 0
br i1 %195, label %196, label %222
196: ; preds = %186
%197 = load i64, i64* %22
%198 = add nsw i64 %197, 1
store i64 %198, i64* %22
store i64 1, i64* %20
br label %199
199: ; preds = %218, %196
%200 = load i64, i64* %20
%201 = icmp sle i64 %200, 3
br i1 %201, label %202, label %221
202: ; preds = %199
%203 = load double*, double** %17
%204 = load i64, i64* %20
%205 = getelementptr inbounds double, double* %203, i64 %204
%206 = load double, double* %205
%207 = load double**, double*** %15
%208 = load i64, i64* %19
%209 = getelementptr inbounds double*, double** %207, i64 %208
%210 = load double*, double** %209
%211 = load i64, i64* %20
%212 = getelementptr inbounds double, double* %210, i64 %211
%213 = load double, double* %212
%214 = fadd double %206, %213
%215 = load double*, double** %17
%216 = load i64, i64* %20
%217 = getelementptr inbounds double, double* %215, i64 %216
store double %214, double* %217
br label %218
218: ; preds = %202
%219 = load i64, i64* %20
%220 = add nsw i64 %219, 1
store i64 %220, i64* %20
br label %199
221: ; preds = %199
br label %222
222: ; preds = %221, %186
br label %223
223: ; preds = %222
%224 = load i64, i64* %21
%225 = add nsw i64 %224, 1
store i64 %225, i64* %21
br label %182
226: ; preds = %182
store i64 1, i64* %20
br label %227
227: ; preds = %241, %226
%228 = load i64, i64* %20
%229 = icmp sle i64 %228, 3
br i1 %229, label %230, label %244
230: ; preds = %227
%231 = load double*, double** %17
%232 = load i64, i64* %20
%233 = getelementptr inbounds double, double* %231, i64 %232
%234 = load double, double* %233
%235 = load i64, i64* %22
%236 = sitofp i64 %235 to double
%237 = fdiv double %234, %236
%238 = load double*, double** %17
%239 = load i64, i64* %20
%240 = getelementptr inbounds double, double* %238, i64 %239
store double %237, double* %240
br label %241
241: ; preds = %230
%242 = load i64, i64* %20
%243 = add nsw i64 %242, 1
store i64 %243, i64* %20
br label %227
244: ; preds = %227
ret void
}

LLVM IR (-O2):
@reltable.NC_vector = internal unnamed_addr constant [9 x i32] [i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32), i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str.1 to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32), i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str.2 to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32), i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str.3 to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32), i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str.4 to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32), i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str.5 to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32), i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str.6 to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32), i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str.7 to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32), i32 trunc (i64 sub (i64 ptrtoint ([5 x i8]* @.str.8 to i64), i64 ptrtoint ([9 x i32]* @reltable.NC_vector to i64)) to i32)]
@.str = [5 x i8] c" C4 \00"
@.str.1 = [5 x i8] c" N3 \00"
@.str.2 = [5 x i8] c" C2 \00"
@.str.3 = [5 x i8] c" N1 \00"
@.str.4 = [5 x i8] c" C6 \00"
@.str.5 = [5 x i8] c" C5 \00"
@.str.6 = [5 x i8] c" N7 \00"
@.str.7 = [5 x i8] c" C8 \00"
@.str.8 = [5 x i8] c" N9 \00"
@.str.9 = [5 x i8] c" C1'\00"
@.str.10 = [19 x i8] c"in base ring atoms\00"
define void @NC_vector(i64 %0, i64 %1, i64 %2, i8** %3, i8* nocapture %4, double** %5, double* %6, double* nocapture %7, double* nocapture writeonly %8) {
%10 = alloca [4 x double]
%11 = bitcast [4 x double]* %10 to i8*
%12 = getelementptr inbounds [4 x double], [4 x double]* %10, i64 0, i64 0
%13 = call i32 @get_atom_xyz(i64 %1, i64 %2, i8* getelementptr inbounds ([5 x i8], [5 x i8]* @.str.9, i64 0, i64 0), i8** %3, double** %5, double* %12)
%14 = getelementptr inbounds i8, i8* %4, i64 %0
%15 = load i8, i8* %14
switch i8 %15, label %22 [
i8 65, label %18
i8 71, label %18
i8 97, label %18
i8 103, label %18
i8 73, label %18
i8 105, label %18
i8 80, label %16
i8 112, label %16
i8 85, label %17
i8 117, label %17
i8 67, label %17
i8 99, label %17
i8 84, label %17
i8 116, label %17
]
16: ; preds = %9, %9
br label %18
17: ; preds = %9, %9, %9, %9, %9, %9
br label %18
18: ; preds = %9, %9, %9, %9, %9, %9, %17, %16
%19 = phi i8* [ getelementptr inbounds ([5 x i8], [5 x i8]* @.str.5, i64 0, i64 0), %16 ], [ getelementptr inbounds ([5 x i8], [5 x i8]* @.str.3, i64 0, i64 0), %17 ], [ getelementptr inbounds ([5 x i8], [5 x i8]* @.str.8, i64 0, i64 0), %9 ], [ getelementptr inbounds ([5 x i8], [5 x i8]* @.str.8, i64 0, i64 0), %9 ], [ getelementptr inbounds ([5 x i8], [5 x i8]* @.str.8, i64 0, i64 0), %9 ], [ getelementptr inbounds ([5 x i8], [5 x i8]* @.str.8, i64 0, i64 0), %9 ], [ getelementptr inbounds ([5 x i8], [5 x i8]* @.str.8, i64 0, i64 0), %9 ], [ getelementptr inbounds ([5 x i8], [5 x i8]* @.str.8, i64 0, i64 0), %9 ]
%20 = phi i64 [ 6, %16 ], [ 6, %17 ], [ 9, %9 ], [ 9, %9 ], [ 9, %9 ], [ 9, %9 ], [ 9, %9 ], [ 9, %9 ]
%21 = call i32 @get_atom_xyz(i64 %1, i64 %2, i8* %19, i8** %3, double** %5, double* %6)
br label %22
22: ; preds = %18, %9
%23 = phi i1 [ false, %9 ], [ true, %18 ]
%24 = phi i64 [ undef, %9 ], [ %20, %18 ]
%25 = getelementptr inbounds [4 x double], [4 x double]* %10, i64 0, i64 1
%26 = load double, double* %25
%27 = getelementptr inbounds double, double* %6, i64 1
%28 = load double, double* %27
%29 = fsub double %26, %28
%30 = getelementptr inbounds double, double* %8, i64 1
store double %29, double* %30
%31 = getelementptr inbounds [4 x double], [4 x double]* %10, i64 0, i64 2
%32 = load double, double* %31
%33 = getelementptr inbounds double, double* %6, i64 2
%34 = load double, double* %33
%35 = fsub double %32, %34
%36 = getelementptr inbounds double, double* %8, i64 2
store double %35, double* %36
%37 = getelementptr inbounds [4 x double], [4 x double]* %10, i64 0, i64 3
%38 = load double, double* %37
%39 = getelementptr inbounds double, double* %6, i64 3
%40 = load double, double* %39
%41 = fsub double %38, %40
%42 = getelementptr inbounds double, double* %8, i64 3
store double %41, double* %42
%43 = getelementptr double, double* %7, i64 1
%44 = bitcast double* %43 to i8*
br i1 %23, label %45, label %53
45: ; preds = %22
%46 = getelementptr inbounds double, double* %7, i64 2
%47 = getelementptr inbounds double, double* %7, i64 3
br label %64
48: ; preds = %87
%49 = bitcast double* %43 to <2 x double>*
%50 = load <2 x double>, <2 x double>* %49
%51 = getelementptr inbounds double, double* %7, i64 3
%52 = load double, double* %51
br label %53
53: ; preds = %48, %22
%54 = phi double [ 0.000000e+00, %22 ], [ %52, %48 ]
%55 = phi i64 [ 0, %22 ], [ %88, %48 ]
%56 = phi <2 x double> [ zeroinitializer, %22 ], [ %50, %48 ]
%57 = sitofp i64 %55 to double
%58 = insertelement <2 x double> poison, double %57, i64 0
%59 = shufflevector <2 x double> %58, <2 x double> poison, <2 x i32> zeroinitializer
%60 = fdiv <2 x double> %56, %59
%61 = bitcast double* %43 to <2 x double>*
store <2 x double> %60, <2 x double>* %61
%62 = getelementptr inbounds double, double* %7, i64 3
%63 = fdiv double %54, %57
store double %63, double* %62
ret void
64: ; preds = %45, %87
%65 = phi i64 [ %88, %87 ], [ 0, %45 ]
%66 = phi i64 [ %89, %87 ], [ 0, %45 ]
%67 = shl i64 %66, 2
%68 = call i8* @llvm.load.relative.i64(i8* bitcast ([9 x i32]* @reltable.NC_vector to i8*), i64 %67)
%69 = call i64 @find_1st_atom(i8* %68, i8** %3, i64 %1, i64 %2, i8* getelementptr inbounds ([19 x i8], [19 x i8]* @.str.10, i64 0, i64 0))
%70 = icmp eq i64 %69, 0
br i1 %70, label %87, label %71
71: ; preds = %64
%72 = getelementptr inbounds double*, double** %5, i64 %69
%73 = load double*, double** %72
%74 = load double, double* %43
%75 = getelementptr inbounds double, double* %73, i64 1
%76 = load double, double* %75
%77 = fadd double %74, %76
store double %77, double* %43
%78 = load double, double* %46
%79 = getelementptr inbounds double, double* %73, i64 2
%80 = load double, double* %79
%81 = fadd double %78, %80
store double %81, double* %46
%82 = load double, double* %47
%83 = getelementptr inbounds double, double* %73, i64 3
%84 = load double, double* %83
%85 = fadd double %82, %84
store double %85, double* %47
%86 = add nsw i64 %65, 1
br label %87
87: ; preds = %71, %64
%88 = phi i64 [ %65, %64 ], [ %86, %71 ]
%89 = add nuw nsw i64 %66, 1
%90 = icmp eq i64 %89, %24
br i1 %90, label %48, label %64
}