0 mol 5 unq 0 iso 0 dist 6.66949 11.1238 7.77059 12.1319 6.4543 9.89833 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 9.50612 6.88535 8.15992 11.552 11.5054 6.1462 numMergedOcc 0
2 mol 6 unq 1 iso 0 dist 9.50612 6.88535 8.15992 14.6786 12.0011 9.12796 numMergedOcc 0
3 mol 6 unq 2 iso 0 dist 6.46784 10.5682 8.15992 13.0012 11.5054 6.1462 numMergedOcc 0
4 mol 6 unq 3 iso 0 dist 6.46784 10.5682 8.15992 14.0737 12.0011 9.12796 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 8.7443 5.38502 5.92388 7.31253 4.71732 6.72231 numMergedOcc 0
6 mol 21 unq 1 iso 0 dist 8.7443 5.38502 5.92388 13.1141 4.56848 9.50179 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.48328 4.99432 5.43913 10.7326 5.44336 8.36915 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 9.48328 4.99432 5.43913 6.46118 9.12054 6.01454 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 8.6777 6.29913 7.21223 10.9061 7.71448 6.79881 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.16745 7.90858 7.02693 11.3999 8.69689 5.39171 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.16745 7.90858 7.02693 12.0249 8.0072 9.27355 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 6.16745 7.90858 7.02693 11.2944 9.61302 8.60363 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 9.50763 7.03773 8.08224 11.8684 5.03002 6.98862 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 6.77993 7.89197 8.63446 8.48921 3.78122 6.6146 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.01995 13.2228 9.35049 9.71281 3.75786 9.07294 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 8.97914 6.72897 8.36016 13.9313 7.72329 9.668 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.38235 8.80016 9.92651 8.59721 3.72258 7.00683 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 8.20259 9.89233 7.95917 8.14413 5.30972 6.41444 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 6.45095 5.20211 6.33954 9.52129 5.41858 6.72499 numMergedOcc 0
20 mol 233 unq 1 iso 0 dist 6.45095 5.20211 6.33954 10.2561 9.32494 7.21238 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.31268 5.98533 8.62485 10.9762 6.17041 6.74214 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.31268 5.98533 8.62485 6.86905 4.51854 5.33462 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 5.91094 5.77901 7.24545 5.69868 6.94281 6.00654 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 5.79883 5.28237 5.19729 7.90449 7.07666 5.38325 numMergedOcc 0
25 mol 254 unq 0 iso 0 dist 8.46816 5.21462 7.02613 7.80528 7.04725 9.36171 numMergedOcc 0
26 mol 254 unq 1 iso 0 dist 8.46816 5.21462 7.02613 10.9766 3.99032 7.87218 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 4.98907 5.83092 5.94328 7.42888 8.9947 8.97411 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 5.28746 5.36882 6.48382 14.0145 16.2409 9.77392 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 9.89615 18.0386 8.67957 22.0305 12.2201 6.12202 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 5.77565 7.77559 8.67957 11.9894 12.2201 6.12202 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 8.6212 8.24036 7.00616 8.51073 3.76721 7.02503 numMergedOcc 0
32 mol 280 unq 1 iso 0 dist 8.6212 14.358 9.19653 8.51073 3.76721 9.18164 numMergedOcc 0
