0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 12.2041 7.88043 10.3148 7.12508 8.15894 11.2901 12.8323 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 12.2041 5.72491 11.2662 12.8323 8.15894 14.8356 7.12508 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 9.78225 5.69955 10.177 7.73394 6.73167 6.07276 8.25132 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.6385 7.36856 5.30297 9.78225 5.69955 10.177 7.42064 7.40948 10.6018 4.94205 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.2572 9.15431 15.7676 12.6005 6.78801 12.7349 4.57579 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 9.29384 8.70296 10.8127 6.63273 6.92648 12.6227 12.6005 6.78801 12.7349 8.57203 numMergedOcc 0
6 mol 131 unq 2 iso 0 dist 9.29384 9.25558 11.2516 13.2572 9.15431 18.3571 12.6005 6.78801 17.5196 4.57579 numMergedOcc 0
7 mol 131 unq 3 iso 0 dist 9.29384 9.25558 11.2516 6.63273 6.92648 11.586 12.6005 6.78801 17.5196 8.57203 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 13.4066 6.77921 6.65731 13.2918 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 11.8244 9.13027 9.19622 13.9189 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 11.8244 9.13027 9.19622 8.25926 numMergedOcc 0
11 mol 171 unq 2 iso 0 dist 7.71426 8.1344 5.90358 7.31409 5.10618 6.71356 11.8244 9.13027 11.6352 13.9189 numMergedOcc 0
12 mol 171 unq 3 iso 0 dist 7.71426 8.1344 5.90358 13.6814 9.86681 15.2816 11.8244 9.13027 11.6352 8.25926 numMergedOcc 0
13 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 13.9189 9.13027 9.19622 11.8244 numMergedOcc 0
14 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 13.9189 9.13027 9.19622 8.25926 numMergedOcc 0
15 mol 171 unq 6 iso 0 dist 5.10618 6.71356 5.90358 7.31409 7.71426 8.1344 13.9189 9.13027 11.6352 11.8244 numMergedOcc 0
16 mol 171 unq 7 iso 0 dist 5.10618 6.71356 5.90358 13.7214 9.86681 15.2816 13.9189 9.13027 11.6352 8.25926 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 10.0756 5.53324 4.19371 10.2793 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 11.8031 6.72182 11.7017 9.09233 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 10.0756 5.53324 4.19371 10.463 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 11.8031 6.72182 11.7017 4.66791 numMergedOcc 0
21 mol 194 unq 4 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 10.0756 5.53324 4.19371 12.8494 numMergedOcc 0
22 mol 194 unq 5 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 11.8031 6.72182 11.7017 7.73551 numMergedOcc 0
23 mol 194 unq 6 iso 0 dist 8.83356 8.29382 12.361 14.6506 6.26839 16.3687 10.463 5.53324 15.7666 10.0756 numMergedOcc 0
24 mol 194 unq 7 iso 0 dist 8.83356 8.29382 12.361 14.6506 6.26839 16.3687 4.66791 6.72182 11.2491 11.8031 numMergedOcc 0
25 mol 194 unq 8 iso 0 dist 8.83356 8.29382 12.361 13.5632 8.12346 18.4977 10.463 5.53324 15.7666 10.2793 numMergedOcc 0
26 mol 194 unq 9 iso 0 dist 8.83356 8.29382 12.361 13.5632 8.12346 18.4977 4.66791 6.72182 11.2491 9.09233 numMergedOcc 0
27 mol 194 unq 10 iso 0 dist 8.83356 8.29382 12.361 11.6097 8.2654 14.3769 10.463 5.53324 15.7666 12.8494 numMergedOcc 0
28 mol 194 unq 11 iso 0 dist 8.83356 8.29382 12.361 11.6097 8.2654 14.3769 4.66791 6.72182 11.2491 7.73551 numMergedOcc 0
29 mol 194 unq 12 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 10.463 5.53324 9.64441 10.0756 numMergedOcc 0
30 mol 194 unq 13 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 4.66791 6.72182 9.00322 11.8031 numMergedOcc 0
31 mol 194 unq 14 iso 0 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 10.463 5.53324 9.64441 10.2793 numMergedOcc 0
32 mol 194 unq 15 iso 0 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 4.66791 6.72182 9.00322 9.09233 numMergedOcc 0
33 mol 194 unq 16 iso 0 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 10.463 5.53324 9.64441 12.8494 numMergedOcc 0
34 mol 194 unq 17 iso 0 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 4.66791 6.72182 9.00322 7.73551 numMergedOcc 0
35 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 10.7531 7.62942 9.26504 5.41635 6.34234 6.22742 6.04871 numMergedOcc 0
36 mol 195 unq 1 iso 0 dist 6.60567 7.36683 6.0634 10.7531 7.62942 9.26504 11.9954 7.87972 13.3723 8.04534 numMergedOcc 0
37 mol 195 unq 2 iso 0 dist 6.60567 6.95086 6.74112 10.7531 7.62942 14.0524 5.41635 6.34234 10.8593 6.04871 numMergedOcc 0
38 mol 195 unq 3 iso 0 dist 6.60567 6.95086 6.74112 10.7531 7.62942 14.0524 11.9954 7.87972 11.9372 8.04534 numMergedOcc 0
39 mol 195 unq 4 iso 0 dist 7.62942 9.26504 6.0634 10.7531 6.60567 7.36683 6.04871 6.34234 6.22742 5.41635 numMergedOcc 0
40 mol 195 unq 5 iso 0 dist 7.62942 9.26504 6.0634 10.7531 6.60567 7.36683 8.04534 7.87972 13.3723 11.9954 numMergedOcc 0
41 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 11.6493 9.18635 16.2739 9.76488 8.8864 15.3535 5.33039 numMergedOcc 0
42 mol 198 unq 1 iso 0 dist 8.10985 6.34616 9.86517 11.6493 9.18635 16.2739 6.0599 8.12201 11.5067 10.1469 numMergedOcc 0
43 mol 198 unq 2 iso 0 dist 8.10985 6.34616 9.86517 11.6493 9.18635 16.2739 6.05382 5.45162 10.7287 5.76471 numMergedOcc 0
44 mol 212 unq 0 iso 0 dist 6.29767 9.74144 9.75095 4.12932 8.57827 12.6219 3.9436 5.50658 12.0526 6.47488 numMergedOcc 0
45 mol 212 unq 1 iso 0 dist 6.29767 8.69988 12.8059 4.12932 8.57827 11.8495 3.9436 5.50658 9.10288 6.47488 numMergedOcc 0
46 mol 212 unq 2 iso 0 dist 6.29767 8.55903 10.7914 4.12932 8.57827 11.3832 3.9436 5.50658 6.19798 6.47488 numMergedOcc 0
47 mol 212 unq 3 iso 0 dist 6.29767 7.15603 9.63281 4.12932 8.57827 10.7294 3.9436 5.50658 9.32123 6.47488 numMergedOcc 0
48 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 5.74345 9.12395 11.3027 13.5923 8.63072 20.2094 10.9571 numMergedOcc 0
49 mol 278 unq 1 iso 0 dist 7.67245 6.62841 13.537 5.74345 9.12395 11.3027 10.0918 7.59696 16.5137 6.48173 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 6.67478 8.29305 13.6219 9.40912 5.8304 11.458 6.5644 numMergedOcc 0
51 mol 279 unq 1 iso 0 dist 6.43341 9.09855 5.89415 6.67478 8.29305 13.6219 4.14939 7.37478 8.98854 8.70069 numMergedOcc 0
