0 mol 58 unq 0 iso 0 dist 6.40841 6.39747 6.11446 5.47421 10.335 7.4785 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.63333 9.23438 4.43437 5.35073 8.89374 7.17488 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.63333 9.23438 4.43437 10.8153 6.46761 6.79356 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 8.89374 7.17488 4.43437 5.35073 8.63333 9.23438 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 8.89374 7.17488 4.43437 8.62958 6.46761 6.79356 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 6.46761 6.79356 4.43437 10.8153 8.63333 9.23438 numMergedOcc 0
6 mol 58 unq 6 iso 0 dist 6.46761 6.79356 4.43437 8.62958 8.89374 7.17488 numMergedOcc 0
7 mol 58 unq 7 iso 0 dist 7.58407 6.79356 9.59066 10.8153 14.2147 9.23438 numMergedOcc 0
8 mol 58 unq 8 iso 0 dist 7.58407 6.79356 9.59066 8.62958 14.3086 7.17488 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.02278 6.62699 7.82564 7.04035 14.5113 8.26541 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.02278 6.62699 7.82564 8.24309 12.0903 4.86198 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.02278 6.62699 7.82564 5.8486 13.0378 8.98867 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 8.624 8.26541 10.4337 5.36766 6.77912 4.86198 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 8.624 8.26541 10.4337 7.04035 11.9814 6.62699 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 8.624 8.26541 10.4337 7.78491 15.4914 8.98867 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 6.77912 4.86198 10.4337 5.36766 8.624 8.26541 numMergedOcc 0
16 mol 72 unq 7 iso 0 dist 6.77912 4.86198 10.4337 8.24309 11.9814 6.62699 numMergedOcc 0
17 mol 72 unq 8 iso 0 dist 6.77912 4.86198 10.4337 10.1538 15.4914 8.98867 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 7.13087 8.62079 15.7104 8.07446 13.6145 7.37171 numMergedOcc 0
19 mol 88 unq 0 iso 0 dist 8.66514 6.65615 6.69123 5.57085 10.6733 5.07548 numMergedOcc 0
20 mol 88 unq 1 iso 0 dist 9.25235 6.65615 3.77436 5.57085 8.69012 5.07548 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 7.39889 4.80684 3.71283 8.61848 10.5042 7.60162 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 8.59981 5.39356 6.92548 5.55757 7.66331 5.01504 numMergedOcc 0
23 mol 127 unq 1 iso 0 dist 8.59981 5.39356 6.92548 6.16471 11.7596 6.80627 numMergedOcc 0
24 mol 127 unq 2 iso 0 dist 7.66331 5.01504 6.92548 5.55757 8.59981 5.39356 numMergedOcc 0
25 mol 127 unq 3 iso 0 dist 7.66331 5.01504 6.92548 4.48524 11.7596 6.80627 numMergedOcc 0
26 mol 127 unq 4 iso 0 dist 7.34519 5.39356 5.87751 5.55757 8.58999 5.01504 numMergedOcc 0
27 mol 127 unq 5 iso 0 dist 7.34519 5.39356 5.87751 6.16471 6.63981 6.80627 numMergedOcc 0
28 mol 127 unq 6 iso 0 dist 8.58999 5.01504 5.87751 5.55757 7.34519 5.39356 numMergedOcc 0
29 mol 127 unq 7 iso 0 dist 8.58999 5.01504 5.87751 4.48524 6.63981 6.80627 numMergedOcc 0
30 mol 127 unq 8 iso 0 dist 6.63981 6.80627 5.87751 6.16471 7.34519 5.39356 numMergedOcc 0
31 mol 127 unq 9 iso 0 dist 6.63981 6.80627 5.87751 4.48524 8.58999 5.01504 numMergedOcc 0
32 mol 130 unq 0 iso 0 dist 6.79146 9.81269 9.6361 4.5207 9.87631 8.81797 numMergedOcc 0
33 mol 130 unq 1 iso 0 dist 6.79146 9.81269 9.6361 10.0969 13.0127 5.92733 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.13561 9.00072 11.2183 5.42328 12.4808 7.59457 numMergedOcc 0
35 mol 152 unq 1 iso 0 dist 9.13561 9.00072 11.2183 6.4896 14.1119 7.55419 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 6.0965 8.82761 14.229 5.45334 11.5105 4.66576 numMergedOcc 0
37 mol 213 unq 1 iso 0 dist 9.59129 8.82761 14.9475 5.45334 13.8919 4.66576 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.05141 8.94231 3.94343 5.6348 8.09066 8.88652 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 6.05141 8.94231 3.94343 8.87326 7.2766 6.46771 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 8.14172 8.88652 12.0336 5.6348 10.6978 8.94231 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 8.14172 8.88652 12.0336 5.31152 6.77463 6.46771 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 8.09066 8.88652 3.94343 5.6348 6.05141 8.94231 numMergedOcc 0
43 mol 238 unq 5 iso 0 dist 8.09066 8.88652 3.94343 5.31152 7.2766 6.46771 numMergedOcc 0
44 mol 238 unq 6 iso 0 dist 6.77463 6.46771 12.0336 8.87326 10.6978 8.94231 numMergedOcc 0
45 mol 238 unq 7 iso 0 dist 6.77463 6.46771 12.0336 5.31152 8.14172 8.88652 numMergedOcc 0
46 mol 238 unq 8 iso 0 dist 7.2766 6.46771 3.94343 8.87326 6.05141 8.94231 numMergedOcc 0
47 mol 238 unq 9 iso 0 dist 7.2766 6.46771 3.94343 5.31152 8.09066 8.88652 numMergedOcc 0
48 mol 248 unq 0 iso 0 dist 8.50864 7.79063 4.40718 5.55137 11.9152 9.64778 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 9.41725 4.9764 13.6468 7.08227 15.6511 7.42932 numMergedOcc 0
