0 mol 58 unq 0 iso 0 dist 7.4785 5.47421 6.39747 5.98837 5.48837 4.55117 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 6.39747 5.47421 7.4785 4.55117 5.48837 5.98837 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.4785 5.47421 6.39747 11.0512 9.15753 5.64209 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 6.39747 5.47421 7.4785 5.64209 9.15753 11.0512 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 9.23438 5.35073 7.17488 5.92889 8.98478 7.05413 numMergedOcc 0
5 mol 58 unq 2 iso 1 dist 7.17488 5.35073 9.23438 7.05413 8.98478 5.92889 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 9.23438 10.8153 6.79356 5.92889 8.98478 6.61756 numMergedOcc 0
7 mol 58 unq 3 iso 1 dist 6.79356 10.8153 9.23438 6.61756 8.98478 5.92889 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 7.17488 8.62958 6.79356 7.05413 8.98478 6.61756 numMergedOcc 0
9 mol 58 unq 3 iso 1 dist 6.79356 8.62958 7.17488 6.61756 8.98478 7.05413 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.23522 11.8291 9.10566 13.4082 7.78587 9.77992 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 9.10566 11.8291 6.23522 9.77992 7.78587 13.4082 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.23522 5.75196 9.62027 13.4082 7.78587 17.0996 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 9.62027 5.75196 6.23522 17.0996 7.78587 13.4082 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.10566 16.8676 9.62027 9.77992 7.78587 17.0996 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 9.62027 16.8676 9.10566 17.0996 7.78587 9.77992 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 5.85237 8.44575 9.11768 10.7963 6.54289 7.79293 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 9.11768 8.44575 5.85237 7.79293 6.54289 10.7963 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 5.85237 8.44575 9.11768 4.83769 7.52869 4.53268 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 9.11768 8.44575 5.85237 4.53268 7.52869 4.83769 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 5.85237 8.44575 9.11768 6.24888 9.18945 6.09332 numMergedOcc 0
21 mol 85 unq 2 iso 1 dist 9.11768 8.44575 5.85237 6.09332 9.18945 6.24888 numMergedOcc 0
22 mol 88 unq 0 iso 0 dist 6.65615 5.57085 5.07548 5.90098 4.70557 4.58465 numMergedOcc 0
23 mol 88 unq 0 iso 1 dist 5.07548 5.57085 6.65615 4.58465 4.70557 5.90098 numMergedOcc 0
24 mol 88 unq 1 iso 0 dist 6.65615 5.57085 5.07548 6.95868 9.08952 6.97239 numMergedOcc 0
25 mol 88 unq 1 iso 1 dist 5.07548 5.57085 6.65615 6.97239 9.08952 6.95868 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 5.39356 5.55757 5.01504 4.77464 7.79077 7.11695 numMergedOcc 0
27 mol 127 unq 0 iso 1 dist 5.01504 5.55757 5.39356 7.11695 7.79077 4.77464 numMergedOcc 0
28 mol 127 unq 1 iso 0 dist 5.39356 6.16471 6.80627 4.77464 7.79077 9.79266 numMergedOcc 0
29 mol 127 unq 1 iso 1 dist 6.80627 6.16471 5.39356 9.79266 7.79077 4.77464 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 5.01504 4.48524 6.80627 7.11695 7.79077 9.79266 numMergedOcc 0
31 mol 127 unq 1 iso 1 dist 6.80627 4.48524 5.01504 9.79266 7.79077 7.11695 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 8.04118 5.50998 8.39035 9.49653 5.69323 7.53854 numMergedOcc 0
33 mol 142 unq 0 iso 1 dist 8.39035 5.50998 8.04118 7.53854 5.69323 9.49653 numMergedOcc 0
34 mol 197 unq 0 iso 0 dist 9.23086 6.75702 8.37086 5.2908 9.77656 10.5397 numMergedOcc 0
35 mol 197 unq 0 iso 1 dist 8.37086 6.75702 9.23086 10.5397 9.77656 5.2908 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 9.54359 5.59609 5.69112 10.7791 9.62597 6.58374 numMergedOcc 0
37 mol 277 unq 0 iso 1 dist 5.69112 5.59609 9.54359 6.58374 9.62597 10.7791 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 5.72327 5.44531 5.81301 8.91002 8.13595 8.34559 numMergedOcc 0
39 mol 277 unq 1 iso 1 dist 5.81301 5.44531 5.72327 8.34559 8.13595 8.91002 numMergedOcc 0
40 mol 277 unq 2 iso 0 dist 5.72327 6.39504 9.81201 8.91002 8.13595 8.76212 numMergedOcc 0
41 mol 277 unq 2 iso 1 dist 9.81201 6.39504 5.72327 8.76212 8.13595 8.91002 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 5.81301 5.13739 9.81201 8.34559 8.13595 8.76212 numMergedOcc 0
43 mol 277 unq 2 iso 1 dist 9.81201 5.13739 5.81301 8.76212 8.13595 8.34559 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 5.30118 4.8356 8.98698 7.23534 5.50067 11.7115 numMergedOcc 0
45 mol 287 unq 0 iso 1 dist 8.98698 4.8356 5.30118 11.7115 5.50067 7.23534 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 5.30118 4.8356 8.98698 7.23534 5.50067 11.7115 numMergedOcc 0
47 mol 288 unq 0 iso 1 dist 8.98698 4.8356 5.30118 11.7115 5.50067 7.23534 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 5.30118 4.8356 8.98698 7.23534 5.50067 11.7115 numMergedOcc 0
49 mol 289 unq 0 iso 1 dist 8.98698 4.8356 5.30118 11.7115 5.50067 7.23534 numMergedOcc 0
