0 mol 0 unq 0 iso 0 dist 9.19007 6.91778 14.0232 9.67081 16.5238 5.8463 6.0225 6.94943 12.8524 14.6538 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.88043 5.99972 7.25346 7.78327 10.6558 3.54153 12.8323 8.15894 14.8356 17.9276 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.80762 5.99972 10.0658 7.78327 13.5227 3.54153 12.8323 8.45544 14.8356 17.9276 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.61823 8.91313 14.4996 8.85601 13.129 4.17255 5.31547 6.98037 12.273 10.9088 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.61823 8.91313 14.4996 8.85601 13.129 4.17255 4.3481 6.9223 12.7637 13.1158 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.61823 8.16392 6.90324 8.85601 13.129 9.96839 5.31547 6.98037 10.9647 10.9088 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 6.61823 8.16392 6.90324 8.85601 13.129 9.96839 4.3481 6.9223 11.1106 13.1158 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 6.49956 8.91313 12.0757 8.85601 12.8901 4.17255 4.3481 7.0561 12.7637 13.1158 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 6.49956 8.16392 7.64508 8.85601 12.8901 9.96839 4.3481 7.0561 11.1106 13.1158 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 7.92856 8.67903 11.6496 3.9764 8.75597 4.62494 11.36 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 8.80895 9.6795 5.92118 12.6005 6.78801 12.7349 14.4726 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 8.80895 9.6795 10.2176 12.6005 6.78801 17.5196 14.4726 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 7.25673 7.78652 6.60479 8.99891 12.6218 14.3396 4.78563 8.612 5.06564 12.5751 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 7.25673 8.91301 7.54337 8.99891 12.6218 12.476 4.78563 8.612 7.5373 12.5751 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 9.52922 7.82899 3.7326 10.0756 5.53324 4.19371 4.45769 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 9.52922 7.82899 3.7326 11.8031 6.72182 11.7017 12.9621 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 6.59544 11.5264 9.10355 5.41635 6.34234 6.22742 10.4086 numMergedOcc 0
17 mol 195 unq 1 iso 0 dist 6.60567 7.36683 6.0634 6.59544 11.5264 9.10355 11.9954 7.87972 13.3723 18.2938 numMergedOcc 0
18 mol 195 unq 2 iso 0 dist 6.60567 6.95086 6.74112 6.59544 11.5264 9.70528 5.41635 6.34234 10.8593 10.4086 numMergedOcc 0
19 mol 195 unq 3 iso 0 dist 6.60567 6.95086 6.74112 6.59544 11.5264 9.70528 11.9954 7.87972 11.9372 18.2938 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 6.77156 13.3432 4.73496 9.76488 8.8864 15.3535 16.5069 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 8.10985 6.34616 9.86517 6.77156 13.3432 4.73496 6.0599 8.12201 11.5067 12.3339 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 8.10985 6.34616 9.86517 6.77156 13.3432 4.73496 6.05382 5.45162 10.7287 12.4328 numMergedOcc 0
23 mol 198 unq 3 iso 0 dist 8.10985 6.34616 9.86517 7.97894 12.4245 4.97547 9.76488 8.8864 15.3535 16.8247 numMergedOcc 0
24 mol 198 unq 4 iso 0 dist 8.10985 6.34616 9.86517 7.97894 12.4245 4.97547 6.0599 8.12201 11.5067 11.6674 numMergedOcc 0
25 mol 198 unq 5 iso 0 dist 8.10985 6.34616 9.86517 7.97894 12.4245 4.97547 6.05382 5.45162 10.7287 13.3333 numMergedOcc 0
26 mol 198 unq 6 iso 0 dist 8.10985 6.34616 9.86517 8.08471 5.45278 5.92533 9.76488 8.8864 15.3535 13.4892 numMergedOcc 0
27 mol 198 unq 7 iso 0 dist 8.10985 6.34616 9.86517 8.08471 5.45278 5.92533 6.0599 8.12201 11.5067 10.6821 numMergedOcc 0
28 mol 198 unq 8 iso 0 dist 8.10985 6.34616 9.86517 8.08471 5.45278 5.92533 6.05382 5.45162 10.7287 9.18405 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 5.35705 5.78276 10.5492 13.5923 8.63072 20.2094 11.7969 numMergedOcc 0
30 mol 278 unq 1 iso 0 dist 7.67245 6.62841 13.537 5.35705 5.78276 10.5492 10.0918 7.59696 16.5137 7.56691 numMergedOcc 0
