#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 */
typedef int /*<<< orphan*/ FILE;

/* Variables and functions */
scalar_t__ EOF;
int /*<<< orphan*/ exit(int /*<<< orphan*/);
int /*<<< orphan*/ fprintf(int /*<<< orphan*/ *, char *, ...);
scalar_t__ scanf(char *, char *);
int /*<<< orphan*/ *stdout;
void main() {
  int ires[3000];
  char aid[3000][10];
  FILE *out;
  int iatom, jj;
  char res[4];
  iatom = 0;
  while (scanf("%s", &res[0]) != EOF) {
    ires[iatom] = iatom * 100 + 100;
    for (jj = 0; jj < 3; jj++)
      aid[iatom][jj] = res[jj];
    aid[iatom][3] = '.';
    aid[iatom][4] = 'c';
    aid[iatom][5] = 'a';
    aid[iatom][6] = '\0';
    iatom++;
  }
  out = stdout;
  fprintf(out, " echo off; setf qu 0.;\n setf au 20.;\n setf bu 6000.; \n setf "
               "mu 40.; \n");
  fprintf(
      out,
      " setf kbu 100.;\n setf kau 100.;\n setf ang 109.5;\n setf tku 10.;\n");
  fprintf(out, " atom %f %f %f %d %s qu au bu mu;\n", 0., 0., 0., ires[0],
          &aid[0][0]);
  fprintf(out, " atom %f %f %f %d %s qu au bu mu;\n", 0., 0., 0., ires[1],
          &aid[1][0]);
  fprintf(out, " atom %f %f %f %d %s qu au bu mu;\n", 0., 0., 0., ires[2],
          &aid[2][0]);
  fprintf(out, "bond  %d %d 3.8 kbu;\n", ires[0], ires[1]);
  fprintf(out, "bond  %d %d 3.8 kbu;\n", ires[1], ires[2]);
  fprintf(out, "angle %d %d %d kau 109.5;\n", ires[0], ires[1], ires[2]);
  for (jj = 0; jj < iatom - 3; jj++) {
    fprintf(out, " atom %f %f %f %d %s qu au bu mu;\n", 0., 0.,
            1000. + 10. * jj, ires[jj + 3], &aid[jj + 3][0]);
    fprintf(out, " tailor exclude %d %d; \n", ires[jj + 2], ires[jj + 3]);
  }
  fprintf(out, " # tethers go here ; \n");
  fprintf(out, " use none tether; cngdel 1000 1000 0; echo; \n");
  fprintf(out, " use none bond angle torsion tether;\n");
  for (jj = 0; jj < iatom - 3; jj++) {
    fprintf(out, " mov x %d.x; add x 3.8;\n", ires[jj + 2]);
    fprintf(out, " mov y %d.y; ", ires[jj + 2]);
    fprintf(out, " mov z %d.z; ", ires[jj + 2]);
    fprintf(out, "atom x y z %d %s qu au bu mu;\n", ires[jj + 3],
            &aid[jj + 3][0]);
    fprintf(out, " use none tether; cngdel 10 10 0;\n");
    fprintf(out, "bond  %d %d 3.8 kbu;\n", ires[jj + 2], ires[jj + 3]);
    fprintf(out, "angle %d %d %d kau 100.;\n", ires[jj + 1], ires[jj + 2],
            ires[jj + 3]);
    fprintf(out, "torsion %d %d %d %d  47.81527 1 286.7432;\n", ires[jj],
            ires[jj + 1], ires[jj + 2], ires[jj + 3]);
    fprintf(out, "torsion %d %d %d %d  22.79931 2 413.2828;\n", ires[jj],
            ires[jj + 1], ires[jj + 2], ires[jj + 3]);
    fprintf(out, "torsion %d %d %d %d  41.48926 3 346.9368;\n", ires[jj],
            ires[jj + 1], ires[jj + 2], ires[jj + 3]);
    fprintf(out, " use none bond angle  tether;\n");
    fprintf(out, " cngdel 20 20 0; v_maxwell 300; pac 20 .00001;\n");
    fprintf(out, " cngdel 30 30 0;\n");
    fprintf(out, " tgroup 1 %d %d %d %d ; tsearch 1;\n", ires[jj], ires[jj + 1],
            ires[jj + 2], ires[jj + 3]);
    fprintf(out, " use none bond angle nonbon torsion tether;\n");
    fprintf(out, " cngdel 30 30 0;\n");
  }
  exit(0);
}


x86 assembly (clang, -O0):
<main>:
push   %rbp
mov    %rsp,%rbp
sub    $0xa430,%rsp
movl   $0x0,-0xa41c(%rbp)
lea    -0xa424(%rbp),%rsi
lea    0xebd(%rip),%rdi
call   1040 <scanf@plt>
mov    0x2e89(%rip),%rcx
cmp    (%rcx),%rax
je     1250 <main+0x120>
imul   $0x64,-0xa41c(%rbp),%ecx
add    $0x64,%ecx
movslq -0xa41c(%rbp),%rax
mov    %ecx,-0x2ee0(%rbp,%rax,4)
movl   $0x0,-0xa420(%rbp)
cmpl   $0x3,-0xa420(%rbp)
jge    11d8 <main+0xa8>
movslq -0xa420(%rbp),%rax
mov    -0xa424(%rbp,%rax,1),%dl
movslq -0xa41c(%rbp),%rcx
lea    -0xa410(%rbp),%rax
imul   $0xa,%rcx,%rcx
add    %rcx,%rax
movslq -0xa420(%rbp),%rcx
mov    %dl,(%rax,%rcx,1)
mov    -0xa420(%rbp),%eax
add    $0x1,%eax
mov    %eax,-0xa420(%rbp)
jmp    118a <main+0x5a>
movslq -0xa41c(%rbp),%rcx
lea    -0xa410(%rbp),%rax
imul   $0xa,%rcx,%rcx
add    %rcx,%rax
movb   $0x2e,0x3(%rax)
movslq -0xa41c(%rbp),%rcx
lea    -0xa410(%rbp),%rax
imul   $0xa,%rcx,%rcx
add    %rcx,%rax
movb   $0x63,0x4(%rax)
movslq -0xa41c(%rbp),%rcx
lea    -0xa410(%rbp),%rax
imul   $0xa,%rcx,%rcx
add    %rcx,%rax
movb   $0x61,0x5(%rax)
movslq -0xa41c(%rbp),%rcx
lea    -0xa410(%rbp),%rax
imul   $0xa,%rcx,%rcx
add    %rcx,%rax
movb   $0x0,0x6(%rax)
mov    -0xa41c(%rbp),%eax
add    $0x1,%eax
mov    %eax,-0xa41c(%rbp)
jmp    1145 <main+0x15>
mov    0x2d81(%rip),%rax
mov    (%rax),%rax
mov    %rax,-0xa418(%rbp)
mov    -0xa418(%rbp),%rdi
lea    0xda4(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xdd5(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0x2ee0(%rbp),%edx
lea    -0xa410(%rbp),%rcx
lea    0xdf4(%rip),%rsi
xorps  %xmm2,%xmm2
movaps %xmm2,%xmm0
movaps %xmm2,%xmm1
mov    $0x3,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0x2edc(%rbp),%edx
lea    -0xa410(%rbp),%rcx
add    $0xa,%rcx
lea    0xdc5(%rip),%rsi
xorps  %xmm2,%xmm2
movaps %xmm2,%xmm0
movaps %xmm2,%xmm1
mov    $0x3,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0x2ed8(%rbp),%edx
lea    -0xa410(%rbp),%rcx
add    $0x14,%rcx
lea    0xd96(%rip),%rsi
xorps  %xmm2,%xmm2
movaps %xmm2,%xmm0
movaps %xmm2,%xmm1
mov    $0x3,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0x2ee0(%rbp),%edx
mov    -0x2edc(%rbp),%ecx
lea    0xd8f(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0x2edc(%rbp),%edx
mov    -0x2ed8(%rbp),%ecx
lea    0xd6e(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0x2ee0(%rbp),%edx
mov    -0x2edc(%rbp),%ecx
mov    -0x2ed8(%rbp),%r8d
lea    0xd5c(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
movl   $0x0,-0xa420(%rbp)
mov    -0xa420(%rbp),%eax
mov    -0xa41c(%rbp),%ecx
sub    $0x3,%ecx
cmp    %ecx,%eax
jge    1452 <main+0x322>
mov    -0xa418(%rbp),%rdi
cvtsi2sdl -0xa420(%rbp),%xmm2
ff
movsd  0xc4a(%rip),%xmm0
mulsd  %xmm0,%xmm2
movsd  0xc46(%rip),%xmm0
addsd  %xmm0,%xmm2
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
lea    -0xa410(%rbp),%rcx
imul   $0xa,%rax,%rax
add    %rax,%rcx
lea    0xca2(%rip),%rsi
xorps  %xmm1,%xmm1
movaps %xmm1,%xmm0
mov    $0x3,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%ecx
lea    0xcb7(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa420(%rbp),%eax
add    $0x1,%eax
mov    %eax,-0xa420(%rbp)
jmp    1388 <main+0x258>
mov    -0xa418(%rbp),%rdi
lea    0xca7(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xca9(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xcc2(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
movl   $0x0,-0xa420(%rbp)
mov    -0xa420(%rbp),%eax
mov    -0xa41c(%rbp),%ecx
sub    $0x3,%ecx
cmp    %ecx,%eax
jge    17ea <main+0x6ba>
mov    -0xa418(%rbp),%rdi
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%edx
lea    0xca0(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%edx
lea    0xc92(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%edx
lea    0xc79(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
lea    -0xa410(%rbp),%rcx
imul   $0xa,%rax,%rax
add    %rax,%rcx
lea    0xc47(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xc51(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%ecx
lea    0xb0f(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
mov    -0xa420(%rbp),%eax
add    $0x1,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%ecx
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r8d
ff
lea    0xbef(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
movslq -0xa420(%rbp),%rax
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x1,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%ecx
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r8d
ff
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r9d
ff
lea    0xbae(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
movslq -0xa420(%rbp),%rax
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x1,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%ecx
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r8d
ff
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r9d
ff
lea    0xb7e(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
movslq -0xa420(%rbp),%rax
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x1,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%ecx
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r8d
ff
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r9d
ff
lea    0xb4e(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xb64(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xb6e(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xb89(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
movslq -0xa420(%rbp),%rax
mov    -0x2ee0(%rbp,%rax,4),%edx
mov    -0xa420(%rbp),%eax
add    $0x1,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%ecx
mov    -0xa420(%rbp),%eax
add    $0x2,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r8d
ff
mov    -0xa420(%rbp),%eax
add    $0x3,%eax
cltq
mov    -0x2ee0(%rbp,%rax,4),%r9d
ff
lea    0xb40(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xb4f(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa418(%rbp),%rdi
lea    0xb04(%rip),%rsi
mov    $0x0,%al
call   1030 <fprintf@plt>
mov    -0xa420(%rbp),%eax
add    $0x1,%eax
mov    %eax,-0xa420(%rbp)
jmp    149b <main+0x36b>
xor    %edi,%edi
call   1050 <exit@plt>

x86 assembly (clang, -O2):
<main>:
push   %rbp
push   %r15
push   %r14
push   %r13
push   %r12
push   %rbx
sub    $0xa448,%rsp
lea    0xeb8(%rip),%rdi
lea    0xc(%rsp),%rsi
call   1040 <scanf@plt>
mov    0x2e7f(%rip),%r15
cmp    (%r15),%rax
jne    1173 <main+0x33>
xor    %r14d,%r14d
jmp    11d7 <main+0x97>
lea    0x2f16(%rsp),%rbx
mov    $0x64,%ebp
xor    %r14d,%r14d
lea    0xe86(%rip),%r12
lea    0xc(%rsp),%r13
nop
mov    %ebp,0x30(%rsp,%r14,4)
movzbl 0xe(%rsp),%eax
mov    %al,-0x4(%rbx)
movzwl 0xc(%rsp),%eax
mov    %ax,-0x6(%rbx)
movl   $0x61632e,-0x3(%rbx)
add    $0x1,%r14
mov    %r12,%rdi
mov    %r13,%rsi
call   1040 <scanf@plt>
add    $0x64,%ebp
add    $0xa,%rbx
cmp    (%r15),%rax
jne    1190 <main+0x50>
mov    0x30(%rsp),%r13d
mov    0x34(%rsp),%r15d
mov    0x38(%rsp),%r12d
mov    0x2dfa(%rip),%rax
mov    (%rax),%rbx
lea    0xe2b(%rip),%rdi
mov    $0x45,%esi
mov    $0x1,%edx
mov    %rbx,%rcx
call   1060 <fwrite@plt>
lea    0xe58(%rip),%rdi
mov    $0x40,%esi
mov    $0x1,%edx
mov    %rbx,%rcx
call   1060 <fwrite@plt>
lea    0xe80(%rip),%rbp
lea    0x2f10(%rsp),%rcx
xorps  %xmm0,%xmm0
xorps  %xmm1,%xmm1
xorpd  %xmm2,%xmm2
mov    %rbx,%rdi
mov    %rbp,%rsi
mov    %r13d,%edx
mov    $0x3,%al
call   1030 <fprintf@plt>
lea    0x2f1a(%rsp),%rcx
xorps  %xmm0,%xmm0
xorps  %xmm1,%xmm1
xorpd  %xmm2,%xmm2
mov    %rbx,%rdi
mov    %rbp,%rsi
mov    %r15d,%edx
mov    $0x3,%al
call   1030 <fprintf@plt>
lea    0x2f24(%rsp),%rcx
xorps  %xmm0,%xmm0
xorps  %xmm1,%xmm1
xorpd  %xmm2,%xmm2
mov    %rbx,%rdi
mov    %rbp,%rsi
mov    %r12d,%edx
mov    $0x3,%al
call   1030 <fprintf@plt>
lea    0xe36(%rip),%rbp
mov    %rbx,%rdi
mov    %rbp,%rsi
mov    %r13d,%edx
mov    %r15d,%ecx
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    %rbx,%rdi
mov    %rbp,%rsi
mov    %r15d,%edx
mov    %r12d,%ecx
xor    %eax,%eax
call   1030 <fprintf@plt>
lea    0xe1f(%rip),%rsi
mov    %rbx,%rdi
mov    %r13d,%edx
mov    %r15d,%ecx
mov    %r12d,%r8d
xor    %eax,%eax
call   1030 <fprintf@plt>
cmp    $0x4,%r14d
jl     15b0 <main+0x470>
mov    %r13d,0x8(%rsp)
lea    -0x3(%r14),%eax
mov    %eax,%eax
mov    %rax,0x20(%rsp)
lea    0x2f2e(%rsp),%rbp
mov    %r12d,0x10(%rsp)
xor    %r15d,%r15d
mov    %rbx,0x18(%rsp)
mov    0x18(%rsp),%rbx
nopl   0x0(%rax,%rax,1)
xorps  %xmm2,%xmm2
cvtsi2sd %r15d,%xmm2
mulsd  0xcf0(%rip),%xmm2
addsd  0xcf0(%rip),%xmm2
mov    0x3c(%rsp,%r15,4),%r13d
xorps  %xmm0,%xmm0
xorps  %xmm1,%xmm1
mov    %rbx,%rdi
lea    0xd6d(%rip),%rsi
mov    %r13d,%edx
mov    %rbp,%rcx
mov    $0x3,%al
call   1030 <fprintf@plt>
mov    %rbx,%rdi
lea    0xdaa(%rip),%rsi
mov    %r12d,%edx
mov    %r13d,%ecx
xor    %eax,%eax
call   1030 <fprintf@plt>
add    $0x1,%r15
add    $0xa,%rbp
mov    %r13d,%r12d
cmp    %r15,0x20(%rsp)
jne    1300 <main+0x1c0>
lea    0xd9d(%rip),%rdi
mov    $0x16,%esi
mov    $0x1,%edx
mov    0x18(%rsp),%rbp
mov    %rbp,%rcx
call   1060 <fwrite@plt>
lea    0xd96(%rip),%rdi
mov    $0x2d,%esi
mov    $0x1,%edx
mov    %rbp,%rcx
call   1060 <fwrite@plt>
lea    0xdab(%rip),%rdi
mov    $0x25,%esi
mov    $0x1,%edx
mov    %rbp,%rcx
call   1060 <fwrite@plt>
cmp    $0x4,%r14d
mov    0x10(%rsp),%r15d
mov    0x8(%rsp),%r14d
jl     15a9 <main+0x469>
lea    0x2f2e(%rsp),%r12
xor    %ebx,%ebx
cs nopw 0x0(%rax,%rax,1)
nopl   0x0(%rax,%rax,1)
mov    %r14d,0x8(%rsp)
mov    %rbp,%rdi
lea    0xd83(%rip),%rsi
mov    %r15d,%edx
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    %rbp,%rdi
lea    0xd88(%rip),%rsi
mov    %r15d,%edx
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    %rbp,%rdi
lea    0xd82(%rip),%rsi
mov    %r15d,%edx
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    0x3c(%rsp,%rbx,4),%r13d
mov    %rbp,%rdi
lea    0xd77(%rip),%rsi
mov    %r13d,%edx
mov    %r12,0x28(%rsp)
mov    %r12,%rcx
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    $0x22,%esi
mov    $0x1,%edx
lea    0xd73(%rip),%rdi
mov    %rbp,%rcx
call   1060 <fwrite@plt>
mov    %rbp,%rdi
lea    0xc58(%rip),%rsi
mov    %r15d,%edx
mov    %r13d,%ecx
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    0x34(%rsp,%rbx,4),%r14d
add    $0x1,%rbx
mov    %rbx,0x10(%rsp)
mov    %rbp,%rdi
lea    0xd5f(%rip),%rsi
mov    %r14d,%edx
mov    %r15d,%ecx
mov    %r13d,%r8d
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    %rbp,%rdi
lea    0xd5f(%rip),%rsi
mov    0x8(%rsp),%ebx
mov    %ebx,%edx
mov    %r14d,%ecx
mov    %r15d,%r8d
mov    %r13d,%r9d
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    %rbp,%rdi
lea    0xd6a(%rip),%rsi
mov    %ebx,%edx
mov    %r14d,%ecx
mov    %r15d,%r8d
mov    %r13d,%r9d
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    %rbp,%rdi
lea    0xd79(%rip),%rsi
mov    %ebx,%edx
mov    %r14d,%ecx
mov    %r15d,%r8d
mov    %r13d,%r9d
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    $0x1e,%esi
mov    $0x1,%edx
lea    0xd81(%rip),%rdi
mov    %rbp,%rcx
call   1060 <fwrite@plt>
mov    $0x2f,%esi
mov    $0x1,%edx
lea    0xd87(%rip),%rdi
mov    %rbp,%rcx
call   1060 <fwrite@plt>
mov    $0x11,%esi
mov    $0x1,%edx
lea    0xd9e(%rip),%r12
mov    %r12,%rdi
mov    %rbp,%rcx
call   1060 <fwrite@plt>
mov    %rbp,%rdi
lea    0xd9b(%rip),%rsi
mov    %ebx,%edx
mov    0x10(%rsp),%rbx
mov    %r14d,%ecx
mov    %r15d,%r8d
mov    %r13d,%r9d
xor    %eax,%eax
call   1030 <fprintf@plt>
mov    $0x2c,%esi
mov    $0x1,%edx
lea    0xd97(%rip),%rdi
mov    %rbp,%rcx
call   1060 <fwrite@plt>
mov    $0x11,%esi
mov    $0x1,%edx
mov    %r12,%rdi
mov    %rbp,%rcx
call   1060 <fwrite@plt>
mov    0x20(%rsp),%rax
mov    0x28(%rsp),%r12
add    $0xa,%r12
mov    %r13d,%r15d
cmp    %rbx,%rax
jne    13e0 <main+0x2a0>
xor    %edi,%edi
call   1050 <exit@plt>
lea    0xb50(%rip),%rdi
mov    $0x16,%esi
mov    $0x1,%edx
mov    %rbx,%rcx
call   1060 <fwrite@plt>
lea    0xb4e(%rip),%rdi
mov    $0x2d,%esi
mov    $0x1,%edx
mov    %rbx,%rcx
call   1060 <fwrite@plt>
lea    0xb63(%rip),%rdi
mov    $0x25,%esi
mov    $0x1,%edx
mov    %rbx,%rcx
call   1060 <fwrite@plt>
xor    %edi,%edi
call   1050 <exit@plt>

LLVM IR (-O0):
@.str = [3 x i8] c"%s\00"
@EOF = global i64 0
@stdout = global i32* null
@.str.1 = [70 x i8] c" echo off; setf qu 0.;\0A setf au 20.;\0A setf bu 6000.; \0A setf mu 40.; \0A\00"
@.str.2 = [65 x i8] c" setf kbu 100.;\0A setf kau 100.;\0A setf ang 109.5;\0A setf tku 10.;\0A\00"
@.str.3 = [35 x i8] c" atom %f %f %f %d %s qu au bu mu;\0A\00"
@.str.4 = [22 x i8] c"bond %d %d 3.8 kbu;\0A\00"
@.str.5 = [27 x i8] c"angle %d %d %d kau 109.5;\0A\00"
@.str.6 = [25 x i8] c" tailor exclude %d %d; \0A\00"
@.str.7 = [23 x i8] c" # tethers go here ; \0A\00"
@.str.8 = [46 x i8] c" use none tether; cngdel 1000 1000 0; echo; \0A\00"
@.str.9 = [38 x i8] c" use none bond angle torsion tether;\0A\00"
@.str.10 = [25 x i8] c" mov x %d.x; add x 3.8;\0A\00"
@.str.11 = [14 x i8] c" mov y %d.y; \00"
@.str.12 = [14 x i8] c" mov z %d.z; \00"
@.str.13 = [31 x i8] c"atom x y z %d %s qu au bu mu;\0A\00"
@.str.14 = [35 x i8] c" use none tether; cngdel 10 10 0;\0A\00"
@.str.15 = [26 x i8] c"angle %d %d %d kau 100.;\0A\00"
@.str.16 = [43 x i8] c"torsion %d %d %d %d 47.81527 1 286.7432;\0A\00"
@.str.17 = [43 x i8] c"torsion %d %d %d %d 22.79931 2 413.2828;\0A\00"
@.str.18 = [43 x i8] c"torsion %d %d %d %d 41.48926 3 346.9368;\0A\00"
@.str.19 = [31 x i8] c" use none bond angle tether;\0A\00"
@.str.20 = [48 x i8] c" cngdel 20 20 0; v_maxwell 300; pac 20 .00001;\0A\00"
@.str.21 = [18 x i8] c" cngdel 30 30 0;\0A\00"
@.str.22 = [36 x i8] c" tgroup 1 %d %d %d %d ; tsearch 1;\0A\00"
@.str.23 = [45 x i8] c" use none bond angle nonbon torsion tether;\0A\00"
define void @main() {
%1 = alloca [3000 x i32]
%2 = alloca [3000 x [10 x i8]]
%3 = alloca i32*
%4 = alloca i32
%5 = alloca i32
%6 = alloca [4 x i8]
store i32 0, i32* %4
br label %7
7: ; preds = %36, %0
%8 = getelementptr inbounds [4 x i8], [4 x i8]* %6, i64 0, i64 0
%9 = call i64 @scanf(i8* getelementptr inbounds ([3 x i8], [3 x i8]* @.str, i64 0, i64 0), i8* %8)
%10 = load i64, i64* @EOF
%11 = icmp ne i64 %9, %10
br i1 %11, label %12, label %55
12: ; preds = %7
%13 = load i32, i32* %4
%14 = mul nsw i32 %13, 100
%15 = add nsw i32 %14, 100
%16 = load i32, i32* %4
%17 = sext i32 %16 to i64
%18 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %17
store i32 %15, i32* %18
store i32 0, i32* %5
br label %19
19: ; preds = %33, %12
%20 = load i32, i32* %5
%21 = icmp slt i32 %20, 3
br i1 %21, label %22, label %36
22: ; preds = %19
%23 = load i32, i32* %5
%24 = sext i32 %23 to i64
%25 = getelementptr inbounds [4 x i8], [4 x i8]* %6, i64 0, i64 %24
%26 = load i8, i8* %25
%27 = load i32, i32* %4
%28 = sext i32 %27 to i64
%29 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %28
%30 = load i32, i32* %5
%31 = sext i32 %30 to i64
%32 = getelementptr inbounds [10 x i8], [10 x i8]* %29, i64 0, i64 %31
store i8 %26, i8* %32
br label %33
33: ; preds = %22
%34 = load i32, i32* %5
%35 = add nsw i32 %34, 1
store i32 %35, i32* %5
br label %19
36: ; preds = %19
%37 = load i32, i32* %4
%38 = sext i32 %37 to i64
%39 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %38
%40 = getelementptr inbounds [10 x i8], [10 x i8]* %39, i64 0, i64 3
store i8 46, i8* %40
%41 = load i32, i32* %4
%42 = sext i32 %41 to i64
%43 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %42
%44 = getelementptr inbounds [10 x i8], [10 x i8]* %43, i64 0, i64 4
store i8 99, i8* %44
%45 = load i32, i32* %4
%46 = sext i32 %45 to i64
%47 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %46
%48 = getelementptr inbounds [10 x i8], [10 x i8]* %47, i64 0, i64 5
store i8 97, i8* %48
%49 = load i32, i32* %4
%50 = sext i32 %49 to i64
%51 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %50
%52 = getelementptr inbounds [10 x i8], [10 x i8]* %51, i64 0, i64 6
store i8 0, i8* %52
%53 = load i32, i32* %4
%54 = add nsw i32 %53, 1
store i32 %54, i32* %4
br label %7
55: ; preds = %7
%56 = load i32*, i32** @stdout
store i32* %56, i32** %3
%57 = load i32*, i32** %3
%58 = call i32 (i32*, i8*, ...) @fprintf(i32* %57, i8* getelementptr inbounds ([70 x i8], [70 x i8]* @.str.1, i64 0, i64 0))
%59 = load i32*, i32** %3
%60 = call i32 (i32*, i8*, ...) @fprintf(i32* %59, i8* getelementptr inbounds ([65 x i8], [65 x i8]* @.str.2, i64 0, i64 0))
%61 = load i32*, i32** %3
%62 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 0
%63 = load i32, i32* %62
%64 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 0
%65 = getelementptr inbounds [10 x i8], [10 x i8]* %64, i64 0, i64 0
%66 = call i32 (i32*, i8*, ...) @fprintf(i32* %61, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.3, i64 0, i64 0), double 0.000000e+00, double 0.000000e+00, double 0.000000e+00, i32 %63, i8* %65)
%67 = load i32*, i32** %3
%68 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 1
%69 = load i32, i32* %68
%70 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 1
%71 = getelementptr inbounds [10 x i8], [10 x i8]* %70, i64 0, i64 0
%72 = call i32 (i32*, i8*, ...) @fprintf(i32* %67, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.3, i64 0, i64 0), double 0.000000e+00, double 0.000000e+00, double 0.000000e+00, i32 %69, i8* %71)
%73 = load i32*, i32** %3
%74 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 2
%75 = load i32, i32* %74
%76 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 2
%77 = getelementptr inbounds [10 x i8], [10 x i8]* %76, i64 0, i64 0
%78 = call i32 (i32*, i8*, ...) @fprintf(i32* %73, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.3, i64 0, i64 0), double 0.000000e+00, double 0.000000e+00, double 0.000000e+00, i32 %75, i8* %77)
%79 = load i32*, i32** %3
%80 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 0
%81 = load i32, i32* %80
%82 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 1
%83 = load i32, i32* %82
%84 = call i32 (i32*, i8*, ...) @fprintf(i32* %79, i8* getelementptr inbounds ([22 x i8], [22 x i8]* @.str.4, i64 0, i64 0), i32 %81, i32 %83)
%85 = load i32*, i32** %3
%86 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 1
%87 = load i32, i32* %86
%88 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 2
%89 = load i32, i32* %88
%90 = call i32 (i32*, i8*, ...) @fprintf(i32* %85, i8* getelementptr inbounds ([22 x i8], [22 x i8]* @.str.4, i64 0, i64 0), i32 %87, i32 %89)
%91 = load i32*, i32** %3
%92 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 0
%93 = load i32, i32* %92
%94 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 1
%95 = load i32, i32* %94
%96 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 2
%97 = load i32, i32* %96
%98 = call i32 (i32*, i8*, ...) @fprintf(i32* %91, i8* getelementptr inbounds ([27 x i8], [27 x i8]* @.str.5, i64 0, i64 0), i32 %93, i32 %95, i32 %97)
store i32 0, i32* %5
br label %99
99: ; preds = %132, %55
%100 = load i32, i32* %5
%101 = load i32, i32* %4
%102 = sub nsw i32 %101, 3
%103 = icmp slt i32 %100, %102
br i1 %103, label %104, label %135
104: ; preds = %99
%105 = load i32*, i32** %3
%106 = load i32, i32* %5
%107 = sitofp i32 %106 to double
%108 = call double @llvm.fmuladd.f64(double 1.000000e+01, double %107, double 1.000000e+03)
%109 = load i32, i32* %5
%110 = add nsw i32 %109, 3
%111 = sext i32 %110 to i64
%112 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %111
%113 = load i32, i32* %112
%114 = load i32, i32* %5
%115 = add nsw i32 %114, 3
%116 = sext i32 %115 to i64
%117 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %116
%118 = getelementptr inbounds [10 x i8], [10 x i8]* %117, i64 0, i64 0
%119 = call i32 (i32*, i8*, ...) @fprintf(i32* %105, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.3, i64 0, i64 0), double 0.000000e+00, double 0.000000e+00, double %108, i32 %113, i8* %118)
%120 = load i32*, i32** %3
%121 = load i32, i32* %5
%122 = add nsw i32 %121, 2
%123 = sext i32 %122 to i64
%124 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %123
%125 = load i32, i32* %124
%126 = load i32, i32* %5
%127 = add nsw i32 %126, 3
%128 = sext i32 %127 to i64
%129 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %128
%130 = load i32, i32* %129
%131 = call i32 (i32*, i8*, ...) @fprintf(i32* %120, i8* getelementptr inbounds ([25 x i8], [25 x i8]* @.str.6, i64 0, i64 0), i32 %125, i32 %130)
br label %132
132: ; preds = %104
%133 = load i32, i32* %5
%134 = add nsw i32 %133, 1
store i32 %134, i32* %5
br label %99
135: ; preds = %99
%136 = load i32*, i32** %3
%137 = call i32 (i32*, i8*, ...) @fprintf(i32* %136, i8* getelementptr inbounds ([23 x i8], [23 x i8]* @.str.7, i64 0, i64 0))
%138 = load i32*, i32** %3
%139 = call i32 (i32*, i8*, ...) @fprintf(i32* %138, i8* getelementptr inbounds ([46 x i8], [46 x i8]* @.str.8, i64 0, i64 0))
%140 = load i32*, i32** %3
%141 = call i32 (i32*, i8*, ...) @fprintf(i32* %140, i8* getelementptr inbounds ([38 x i8], [38 x i8]* @.str.9, i64 0, i64 0))
store i32 0, i32* %5
br label %142
142: ; preds = %306, %135
%143 = load i32, i32* %5
%144 = load i32, i32* %4
%145 = sub nsw i32 %144, 3
%146 = icmp slt i32 %143, %145
br i1 %146, label %147, label %309
147: ; preds = %142
%148 = load i32*, i32** %3
%149 = load i32, i32* %5
%150 = add nsw i32 %149, 2
%151 = sext i32 %150 to i64
%152 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %151
%153 = load i32, i32* %152
%154 = call i32 (i32*, i8*, ...) @fprintf(i32* %148, i8* getelementptr inbounds ([25 x i8], [25 x i8]* @.str.10, i64 0, i64 0), i32 %153)
%155 = load i32*, i32** %3
%156 = load i32, i32* %5
%157 = add nsw i32 %156, 2
%158 = sext i32 %157 to i64
%159 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %158
%160 = load i32, i32* %159
%161 = call i32 (i32*, i8*, ...) @fprintf(i32* %155, i8* getelementptr inbounds ([14 x i8], [14 x i8]* @.str.11, i64 0, i64 0), i32 %160)
%162 = load i32*, i32** %3
%163 = load i32, i32* %5
%164 = add nsw i32 %163, 2
%165 = sext i32 %164 to i64
%166 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %165
%167 = load i32, i32* %166
%168 = call i32 (i32*, i8*, ...) @fprintf(i32* %162, i8* getelementptr inbounds ([14 x i8], [14 x i8]* @.str.12, i64 0, i64 0), i32 %167)
%169 = load i32*, i32** %3
%170 = load i32, i32* %5
%171 = add nsw i32 %170, 3
%172 = sext i32 %171 to i64
%173 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %172
%174 = load i32, i32* %173
%175 = load i32, i32* %5
%176 = add nsw i32 %175, 3
%177 = sext i32 %176 to i64
%178 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %177
%179 = getelementptr inbounds [10 x i8], [10 x i8]* %178, i64 0, i64 0
%180 = call i32 (i32*, i8*, ...) @fprintf(i32* %169, i8* getelementptr inbounds ([31 x i8], [31 x i8]* @.str.13, i64 0, i64 0), i32 %174, i8* %179)
%181 = load i32*, i32** %3
%182 = call i32 (i32*, i8*, ...) @fprintf(i32* %181, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.14, i64 0, i64 0))
%183 = load i32*, i32** %3
%184 = load i32, i32* %5
%185 = add nsw i32 %184, 2
%186 = sext i32 %185 to i64
%187 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %186
%188 = load i32, i32* %187
%189 = load i32, i32* %5
%190 = add nsw i32 %189, 3
%191 = sext i32 %190 to i64
%192 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %191
%193 = load i32, i32* %192
%194 = call i32 (i32*, i8*, ...) @fprintf(i32* %183, i8* getelementptr inbounds ([22 x i8], [22 x i8]* @.str.4, i64 0, i64 0), i32 %188, i32 %193)
%195 = load i32*, i32** %3
%196 = load i32, i32* %5
%197 = add nsw i32 %196, 1
%198 = sext i32 %197 to i64
%199 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %198
%200 = load i32, i32* %199
%201 = load i32, i32* %5
%202 = add nsw i32 %201, 2
%203 = sext i32 %202 to i64
%204 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %203
%205 = load i32, i32* %204
%206 = load i32, i32* %5
%207 = add nsw i32 %206, 3
%208 = sext i32 %207 to i64
%209 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %208
%210 = load i32, i32* %209
%211 = call i32 (i32*, i8*, ...) @fprintf(i32* %195, i8* getelementptr inbounds ([26 x i8], [26 x i8]* @.str.15, i64 0, i64 0), i32 %200, i32 %205, i32 %210)
%212 = load i32*, i32** %3
%213 = load i32, i32* %5
%214 = sext i32 %213 to i64
%215 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %214
%216 = load i32, i32* %215
%217 = load i32, i32* %5
%218 = add nsw i32 %217, 1
%219 = sext i32 %218 to i64
%220 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %219
%221 = load i32, i32* %220
%222 = load i32, i32* %5
%223 = add nsw i32 %222, 2
%224 = sext i32 %223 to i64
%225 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %224
%226 = load i32, i32* %225
%227 = load i32, i32* %5
%228 = add nsw i32 %227, 3
%229 = sext i32 %228 to i64
%230 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %229
%231 = load i32, i32* %230
%232 = call i32 (i32*, i8*, ...) @fprintf(i32* %212, i8* getelementptr inbounds ([43 x i8], [43 x i8]* @.str.16, i64 0, i64 0), i32 %216, i32 %221, i32 %226, i32 %231)
%233 = load i32*, i32** %3
%234 = load i32, i32* %5
%235 = sext i32 %234 to i64
%236 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %235
%237 = load i32, i32* %236
%238 = load i32, i32* %5
%239 = add nsw i32 %238, 1
%240 = sext i32 %239 to i64
%241 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %240
%242 = load i32, i32* %241
%243 = load i32, i32* %5
%244 = add nsw i32 %243, 2
%245 = sext i32 %244 to i64
%246 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %245
%247 = load i32, i32* %246
%248 = load i32, i32* %5
%249 = add nsw i32 %248, 3
%250 = sext i32 %249 to i64
%251 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %250
%252 = load i32, i32* %251
%253 = call i32 (i32*, i8*, ...) @fprintf(i32* %233, i8* getelementptr inbounds ([43 x i8], [43 x i8]* @.str.17, i64 0, i64 0), i32 %237, i32 %242, i32 %247, i32 %252)
%254 = load i32*, i32** %3
%255 = load i32, i32* %5
%256 = sext i32 %255 to i64
%257 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %256
%258 = load i32, i32* %257
%259 = load i32, i32* %5
%260 = add nsw i32 %259, 1
%261 = sext i32 %260 to i64
%262 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %261
%263 = load i32, i32* %262
%264 = load i32, i32* %5
%265 = add nsw i32 %264, 2
%266 = sext i32 %265 to i64
%267 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %266
%268 = load i32, i32* %267
%269 = load i32, i32* %5
%270 = add nsw i32 %269, 3
%271 = sext i32 %270 to i64
%272 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %271
%273 = load i32, i32* %272
%274 = call i32 (i32*, i8*, ...) @fprintf(i32* %254, i8* getelementptr inbounds ([43 x i8], [43 x i8]* @.str.18, i64 0, i64 0), i32 %258, i32 %263, i32 %268, i32 %273)
%275 = load i32*, i32** %3
%276 = call i32 (i32*, i8*, ...) @fprintf(i32* %275, i8* getelementptr inbounds ([31 x i8], [31 x i8]* @.str.19, i64 0, i64 0))
%277 = load i32*, i32** %3
%278 = call i32 (i32*, i8*, ...) @fprintf(i32* %277, i8* getelementptr inbounds ([48 x i8], [48 x i8]* @.str.20, i64 0, i64 0))
%279 = load i32*, i32** %3
%280 = call i32 (i32*, i8*, ...) @fprintf(i32* %279, i8* getelementptr inbounds ([18 x i8], [18 x i8]* @.str.21, i64 0, i64 0))
%281 = load i32*, i32** %3
%282 = load i32, i32* %5
%283 = sext i32 %282 to i64
%284 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %283
%285 = load i32, i32* %284
%286 = load i32, i32* %5
%287 = add nsw i32 %286, 1
%288 = sext i32 %287 to i64
%289 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %288
%290 = load i32, i32* %289
%291 = load i32, i32* %5
%292 = add nsw i32 %291, 2
%293 = sext i32 %292 to i64
%294 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %293
%295 = load i32, i32* %294
%296 = load i32, i32* %5
%297 = add nsw i32 %296, 3
%298 = sext i32 %297 to i64
%299 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %298
%300 = load i32, i32* %299
%301 = call i32 (i32*, i8*, ...) @fprintf(i32* %281, i8* getelementptr inbounds ([36 x i8], [36 x i8]* @.str.22, i64 0, i64 0), i32 %285, i32 %290, i32 %295, i32 %300)
%302 = load i32*, i32** %3
%303 = call i32 (i32*, i8*, ...) @fprintf(i32* %302, i8* getelementptr inbounds ([45 x i8], [45 x i8]* @.str.23, i64 0, i64 0))
%304 = load i32*, i32** %3
%305 = call i32 (i32*, i8*, ...) @fprintf(i32* %304, i8* getelementptr inbounds ([18 x i8], [18 x i8]* @.str.21, i64 0, i64 0))
br label %306
306: ; preds = %147
%307 = load i32, i32* %5
%308 = add nsw i32 %307, 1
store i32 %308, i32* %5
br label %142
309: ; preds = %142
%310 = call i32 @exit(i32 0)
unreachable
}

LLVM IR (-O2):
@.str = [3 x i8] c"%s\00"
@EOF = global i64 0
@stdout = global i32* null
@.str.1 = [70 x i8] c" echo off; setf qu 0.;\0A setf au 20.;\0A setf bu 6000.; \0A setf mu 40.; \0A\00"
@.str.2 = [65 x i8] c" setf kbu 100.;\0A setf kau 100.;\0A setf ang 109.5;\0A setf tku 10.;\0A\00"
@.str.3 = [35 x i8] c" atom %f %f %f %d %s qu au bu mu;\0A\00"
@.str.4 = [22 x i8] c"bond %d %d 3.8 kbu;\0A\00"
@.str.5 = [27 x i8] c"angle %d %d %d kau 109.5;\0A\00"
@.str.6 = [25 x i8] c" tailor exclude %d %d; \0A\00"
@.str.7 = [23 x i8] c" # tethers go here ; \0A\00"
@.str.8 = [46 x i8] c" use none tether; cngdel 1000 1000 0; echo; \0A\00"
@.str.9 = [38 x i8] c" use none bond angle torsion tether;\0A\00"
@.str.10 = [25 x i8] c" mov x %d.x; add x 3.8;\0A\00"
@.str.11 = [14 x i8] c" mov y %d.y; \00"
@.str.12 = [14 x i8] c" mov z %d.z; \00"
@.str.13 = [31 x i8] c"atom x y z %d %s qu au bu mu;\0A\00"
@.str.14 = [35 x i8] c" use none tether; cngdel 10 10 0;\0A\00"
@.str.15 = [26 x i8] c"angle %d %d %d kau 100.;\0A\00"
@.str.16 = [43 x i8] c"torsion %d %d %d %d 47.81527 1 286.7432;\0A\00"
@.str.17 = [43 x i8] c"torsion %d %d %d %d 22.79931 2 413.2828;\0A\00"
@.str.18 = [43 x i8] c"torsion %d %d %d %d 41.48926 3 346.9368;\0A\00"
@.str.19 = [31 x i8] c" use none bond angle tether;\0A\00"
@.str.20 = [48 x i8] c" cngdel 20 20 0; v_maxwell 300; pac 20 .00001;\0A\00"
@.str.21 = [18 x i8] c" cngdel 30 30 0;\0A\00"
@.str.22 = [36 x i8] c" tgroup 1 %d %d %d %d ; tsearch 1;\0A\00"
@.str.23 = [45 x i8] c" use none bond angle nonbon torsion tether;\0A\00"
define void @main() {
%1 = alloca [3000 x i32]
%2 = alloca [3000 x [10 x i8]]
%3 = alloca [4 x i8]
%4 = getelementptr inbounds [4 x i8], [4 x i8]* %3, i64 0, i64 0
%5 = bitcast [3000 x i32]* %1 to i8*
%6 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 0, i64 0
%7 = getelementptr inbounds [4 x i8], [4 x i8]* %3, i64 0, i64 0
%8 = call i64 @scanf(i8* getelementptr inbounds ([3 x i8], [3 x i8]* @.str, i64 0, i64 0), i8* %7)
%9 = load i64, i64* @EOF
%10 = icmp eq i64 %8, %9
br i1 %10, label %34, label %11
11: ; preds = %0, %11
%12 = phi i64 [ %22, %11 ], [ 0, %0 ]
%13 = getelementptr [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %12, i64 0
%14 = trunc i64 %12 to i32
%15 = mul nsw i32 %14, 100
%16 = add nuw nsw i32 %15, 100
%17 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %12
store i32 %16, i32* %17
%18 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %12, i64 3
store i8 46, i8* %18
%19 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %12, i64 4
store i8 99, i8* %19
%20 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %12, i64 5
store i8 97, i8* %20
%21 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %12, i64 6
store i8 0, i8* %21
%22 = add nuw i64 %12, 1
%23 = call i64 @scanf(i8* getelementptr inbounds ([3 x i8], [3 x i8]* @.str, i64 0, i64 0), i8* %7)
%24 = load i64, i64* @EOF
%25 = icmp eq i64 %23, %24
br i1 %25, label %26, label %11
26: ; preds = %11
%27 = trunc i64 %22 to i32
%28 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 0
%29 = load i32, i32* %28
%30 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 1
%31 = load i32, i32* %30
%32 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 2
%33 = load i32, i32* %32
br label %34
34: ; preds = %26, %0
%35 = phi i32 [ undef, %0 ], [ %33, %26 ]
%36 = phi i32 [ undef, %0 ], [ %31, %26 ]
%37 = phi i32 [ undef, %0 ], [ %29, %26 ]
%38 = phi i32 [ 0, %0 ], [ %27, %26 ]
%39 = load i32*, i32** @stdout
%40 = call i64 @fwrite(i8* getelementptr inbounds ([70 x i8], [70 x i8]* @.str.1, i64 0, i64 0), i64 69, i64 1, i32* %39)
%41 = call i64 @fwrite(i8* getelementptr inbounds ([65 x i8], [65 x i8]* @.str.2, i64 0, i64 0), i64 64, i64 1, i32* %39)
%42 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.3, i64 0, i64 0), double 0.000000e+00, double 0.000000e+00, double 0.000000e+00, i32 %37, i8* %6)
%43 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 1, i64 0
%44 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.3, i64 0, i64 0), double 0.000000e+00, double 0.000000e+00, double 0.000000e+00, i32 %36, i8* %43)
%45 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 2, i64 0
%46 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.3, i64 0, i64 0), double 0.000000e+00, double 0.000000e+00, double 0.000000e+00, i32 %35, i8* %45)
%47 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([22 x i8], [22 x i8]* @.str.4, i64 0, i64 0), i32 %37, i32 %36)
%48 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([22 x i8], [22 x i8]* @.str.4, i64 0, i64 0), i32 %36, i32 %35)
%49 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([27 x i8], [27 x i8]* @.str.5, i64 0, i64 0), i32 %37, i32 %36, i32 %35)
%50 = add i32 %38, -3
%51 = icmp sgt i32 %38, 3
br i1 %51, label %52, label %102
52: ; preds = %34
%53 = zext i32 %50 to i64
br label %54
54: ; preds = %52, %54
%55 = phi i32 [ %35, %52 ], [ %62, %54 ]
%56 = phi i64 [ 0, %52 ], [ %66, %54 ]
%57 = trunc i64 %56 to i32
%58 = sitofp i32 %57 to double
%59 = call double @llvm.fmuladd.f64(double %58, double 1.000000e+01, double 1.000000e+03)
%60 = add nuw nsw i64 %56, 3
%61 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %60
%62 = load i32, i32* %61
%63 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %60, i64 0
%64 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.3, i64 0, i64 0), double 0.000000e+00, double 0.000000e+00, double %59, i32 %62, i8* %63)
%65 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([25 x i8], [25 x i8]* @.str.6, i64 0, i64 0), i32 %55, i32 %62)
%66 = add nuw nsw i64 %56, 1
%67 = icmp eq i64 %66, %53
br i1 %67, label %68, label %54
68: ; preds = %54
%69 = call i64 @fwrite(i8* getelementptr inbounds ([23 x i8], [23 x i8]* @.str.7, i64 0, i64 0), i64 22, i64 1, i32* %39)
%70 = call i64 @fwrite(i8* getelementptr inbounds ([46 x i8], [46 x i8]* @.str.8, i64 0, i64 0), i64 45, i64 1, i32* %39)
%71 = call i64 @fwrite(i8* getelementptr inbounds ([38 x i8], [38 x i8]* @.str.9, i64 0, i64 0), i64 37, i64 1, i32* %39)
br i1 %51, label %72, label %106
72: ; preds = %68
%73 = zext i32 %50 to i64
br label %74
74: ; preds = %72, %74
%75 = phi i32 [ %37, %72 ], [ %90, %74 ]
%76 = phi i32 [ %35, %72 ], [ %83, %74 ]
%77 = phi i64 [ 0, %72 ], [ %88, %74 ]
%78 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([25 x i8], [25 x i8]* @.str.10, i64 0, i64 0), i32 %76)
%79 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([14 x i8], [14 x i8]* @.str.11, i64 0, i64 0), i32 %76)
%80 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([14 x i8], [14 x i8]* @.str.12, i64 0, i64 0), i32 %76)
%81 = add nuw nsw i64 %77, 3
%82 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %81
%83 = load i32, i32* %82
%84 = getelementptr inbounds [3000 x [10 x i8]], [3000 x [10 x i8]]* %2, i64 0, i64 %81, i64 0
%85 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([31 x i8], [31 x i8]* @.str.13, i64 0, i64 0), i32 %83, i8* %84)
%86 = call i64 @fwrite(i8* getelementptr inbounds ([35 x i8], [35 x i8]* @.str.14, i64 0, i64 0), i64 34, i64 1, i32* %39)
%87 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([22 x i8], [22 x i8]* @.str.4, i64 0, i64 0), i32 %76, i32 %83)
%88 = add nuw nsw i64 %77, 1
%89 = getelementptr inbounds [3000 x i32], [3000 x i32]* %1, i64 0, i64 %88
%90 = load i32, i32* %89
%91 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([26 x i8], [26 x i8]* @.str.15, i64 0, i64 0), i32 %90, i32 %76, i32 %83)
%92 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([43 x i8], [43 x i8]* @.str.16, i64 0, i64 0), i32 %75, i32 %90, i32 %76, i32 %83)
%93 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([43 x i8], [43 x i8]* @.str.17, i64 0, i64 0), i32 %75, i32 %90, i32 %76, i32 %83)
%94 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([43 x i8], [43 x i8]* @.str.18, i64 0, i64 0), i32 %75, i32 %90, i32 %76, i32 %83)
%95 = call i64 @fwrite(i8* getelementptr inbounds ([31 x i8], [31 x i8]* @.str.19, i64 0, i64 0), i64 30, i64 1, i32* %39)
%96 = call i64 @fwrite(i8* getelementptr inbounds ([48 x i8], [48 x i8]* @.str.20, i64 0, i64 0), i64 47, i64 1, i32* %39)
%97 = call i64 @fwrite(i8* getelementptr inbounds ([18 x i8], [18 x i8]* @.str.21, i64 0, i64 0), i64 17, i64 1, i32* %39)
%98 = call i32 (i32*, i8*, ...) @fprintf(i32* %39, i8* getelementptr inbounds ([36 x i8], [36 x i8]* @.str.22, i64 0, i64 0), i32 %75, i32 %90, i32 %76, i32 %83)
%99 = call i64 @fwrite(i8* getelementptr inbounds ([45 x i8], [45 x i8]* @.str.23, i64 0, i64 0), i64 44, i64 1, i32* %39)
%100 = call i64 @fwrite(i8* getelementptr inbounds ([18 x i8], [18 x i8]* @.str.21, i64 0, i64 0), i64 17, i64 1, i32* %39)
%101 = icmp eq i64 %88, %73
br i1 %101, label %106, label %74
102: ; preds = %34
%103 = call i64 @fwrite(i8* getelementptr inbounds ([23 x i8], [23 x i8]* @.str.7, i64 0, i64 0), i64 22, i64 1, i32* %39)
%104 = call i64 @fwrite(i8* getelementptr inbounds ([46 x i8], [46 x i8]* @.str.8, i64 0, i64 0), i64 45, i64 1, i32* %39)
%105 = call i64 @fwrite(i8* getelementptr inbounds ([38 x i8], [38 x i8]* @.str.9, i64 0, i64 0), i64 37, i64 1, i32* %39)
br label %106
106: ; preds = %74, %102, %68
%107 = call i32 @exit(i32 0)
unreachable
}