0 mol 8 unq 0 iso 0 dist 9.08552 13.7837 9.01112 15.2421 7.12261 9.62879 17.0724 12.536 8.4069 8.96553 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.21616 5.61445 6.42835 8.82587 5.01101 5.05803 12.5048 11.0298 6.92781 6.31718 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.45103 5.61445 6.57331 8.82587 4.65873 5.05803 12.5048 8.43054 6.92781 6.31718 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 9.45103 12.5048 8.43054 8.82587 4.65873 6.31718 5.61445 6.57331 6.92781 5.05803 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 9.45103 12.5048 8.43054 17.6238 9.81307 7.63133 16.1606 11.1513 5.32694 5.46498 numMergedOcc 0
5 mol 16 unq 4 iso 0 dist 9.45103 12.5048 8.43054 17.6238 9.81307 7.63133 21.6828 16.7405 10.4155 8.71745 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 9.39274 11.5983 7.99919 6.23095 4.77954 6.03987 10.747 11.0249 4.51512 7.31767 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 8.16985 11.6369 7.12321 6.7212 7.47371 9.96708 6.12361 6.21799 8.24309 9.78528 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 8.16985 6.12361 6.21799 6.7212 7.47371 9.78528 11.6369 7.12321 8.24309 9.96708 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 7.81344 6.12361 5.03251 6.7212 9.67587 9.78528 11.6369 9.35457 8.24309 9.96708 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 7.49245 5.43672 5.03251 13.3713 9.67587 9.78528 13.6461 9.35457 8.24309 9.96708 numMergedOcc 0
11 mol 72 unq 4 iso 0 dist 5.49421 6.12361 7.66093 6.7212 7.07356 9.78528 11.6369 12.1131 8.24309 9.96708 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 4.79891 4.72129 7.02507 8.05602 7.03983 6.48948 12.0507 9.89095 9.51923 5.08437 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 4.79891 4.72129 7.02507 8.05602 7.03983 6.48948 12.0339 12.7417 9.42358 6.10456 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 6.74197 11.0642 7.54889 15.44 10.4782 6.10456 13.9683 9.81956 8.40073 5.08437 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 6.74197 11.0642 7.54889 15.44 10.4782 6.10456 17.3037 10.8223 9.42358 6.48948 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 5.85449 9.94341 8.8807 6.65086 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 7.68675 9.82522 12.6515 6.56369 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 9.53223 13.4844 13.887 9.30209 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 9.05604 5.25186 6.29161 11.8274 6.73011 7.34473 11.611 11.0751 7 8.58044 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 9.05604 5.25186 6.29161 11.8274 6.73011 7.34473 11.1466 13.6787 8.40993 9.97763 numMergedOcc 0
21 mol 109 unq 2 iso 0 dist 5.58623 5.25186 7.86666 11.8274 13.0886 7.34473 11.611 14.3511 7 8.58044 numMergedOcc 0
22 mol 109 unq 3 iso 0 dist 5.58623 5.25186 7.86666 11.8274 13.0886 7.34473 11.1466 15.7916 8.40993 9.97763 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 8.54233 5.34484 6.10127 11.6152 10.5783 7.90328 11.8951 11.6387 7.22206 7.83136 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 8.54233 5.34484 6.10127 11.6152 10.5783 7.90328 11.7058 14.762 9.3584 7.0603 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 8.46972 10.1294 5.51197 17.6185 12.1739 8.54584 12.092 9.97604 4.61027 8.53613 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 4.79003 7.33132 7.22643 9.79004 6.9945 8.22656 10.0277 10.4642 6.65743 7.24514 numMergedOcc 0
27 mol 142 unq 0 iso 0 dist 5.90339 8.68855 7.81207 7.15087 4.67662 9.2313 5.50176 6.14151 5.32922 5.31024 numMergedOcc 0
28 mol 142 unq 1 iso 0 dist 5.90339 8.68855 7.81207 10.5719 5.81599 7.73169 5.50176 6.14151 5.32922 7.26382 numMergedOcc 0
29 mol 142 unq 2 iso 0 dist 5.90339 5.50176 6.14151 7.15087 4.67662 5.31024 8.68855 7.81207 5.32922 9.2313 numMergedOcc 0
30 mol 142 unq 3 iso 0 dist 5.90339 5.50176 6.14151 10.5719 5.81599 7.26382 8.68855 7.81207 5.32922 7.73169 numMergedOcc 0
31 mol 155 unq 0 iso 0 dist 8.14405 7.92939 8.97626 12.7322 9.16779 7.46303 13.1804 12.9034 5.71071 6.23493 numMergedOcc 0
32 mol 178 unq 0 iso 0 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 11.125 10.0638 5.34677 6.43573 numMergedOcc 0
33 mol 178 unq 1 iso 0 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 19.1474 13.2692 11.7381 7.17202 numMergedOcc 0
34 mol 178 unq 2 iso 0 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 19.395 15.0672 14.0703 8.81551 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 7.12029 5.77884 6.61112 12.2764 11.0961 7.54065 19.4957 18.4751 13.8792 9.70748 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 7.12029 5.77884 6.61112 12.2764 11.0961 7.54065 7.02436 11.456 5.74635 8.87694 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 10.6375 14.4477 13.3522 8.01589 numMergedOcc 0
38 mol 222 unq 1 iso 0 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 5.39098 10.0233 5.24516 7.7699 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 5.88041 13.1803 8.08349 10.6043 5.13732 6.61986 14.0352 11.2501 9.54151 9.40098 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 5.31916 8.98459 6.99769 10.1632 5.76843 6.65832 9.81806 8.79428 6.77699 6.60589 numMergedOcc 0
41 mol 224 unq 2 iso 0 dist 5.31916 8.98459 6.99769 10.1632 5.76843 6.65832 5.99647 6.8692 11.328 9.16166 numMergedOcc 0
42 mol 224 unq 3 iso 0 dist 5.31916 9.81806 8.79428 9.73411 7.05804 6.57273 14.1073 13.2325 4.70378 8.95269 numMergedOcc 0
43 mol 224 unq 4 iso 0 dist 5.31916 9.81806 8.79428 9.73411 7.05804 6.57273 5.99647 6.8692 8.49799 5.78342 numMergedOcc 0
44 mol 224 unq 5 iso 0 dist 5.31916 9.81806 8.79428 10.1632 5.76843 6.60589 8.98459 6.99769 6.77699 6.65832 numMergedOcc 0
45 mol 224 unq 6 iso 0 dist 5.31916 9.81806 8.79428 10.1632 5.76843 6.60589 5.99647 6.8692 8.49799 9.16166 numMergedOcc 0
46 mol 224 unq 7 iso 0 dist 5.31916 5.99647 6.8692 9.73411 7.05804 5.78342 14.1073 13.2325 11.5372 8.95269 numMergedOcc 0
47 mol 224 unq 8 iso 0 dist 5.31916 5.99647 6.8692 9.73411 7.05804 5.78342 9.81806 8.79428 8.49799 6.57273 numMergedOcc 0
48 mol 224 unq 9 iso 0 dist 5.31916 5.99647 6.8692 10.1632 5.76843 9.16166 8.98459 6.99769 11.328 6.65832 numMergedOcc 0
49 mol 224 unq 10 iso 0 dist 5.31916 5.99647 6.8692 10.1632 5.76843 9.16166 9.81806 8.79428 8.49799 6.60589 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 6.95658 5.20592 9.07743 10.9903 8.8603 8.13497 6.80302 7.66153 4.69778 7.88519 numMergedOcc 0
51 mol 259 unq 1 iso 0 dist 6.95658 6.80302 7.66153 10.9903 8.8603 7.88519 5.20592 9.07743 4.69778 8.13497 numMergedOcc 0
52 mol 273 unq 0 iso 0 dist 8.28809 6.69098 9.59325 13.6003 12.2939 9.01049 13.5902 14.6946 7.03728 6.92774 numMergedOcc 0
53 mol 273 unq 1 iso 0 dist 8.28809 6.69098 9.59325 13.6003 12.2939 9.01049 11.0449 15.4762 8.05475 9.2983 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 6.16546 8.30978 6.02353 8.80588 4.90315 6.53701 5.80223 6.86234 5.51836 6.0664 numMergedOcc 0
55 mol 280 unq 1 iso 0 dist 6.16546 5.80223 6.86234 8.80588 4.90315 6.0664 8.30978 6.02353 5.51836 6.53701 numMergedOcc 0
