0 mol 60 unq 0 iso 0 dist 9.34193 11.7103 4.65127 13.1258 8.97364 4.82351 17.2674 11.2415 9.96399 10.5084 numMergedOcc 0
1 mol 60 unq 1 iso 0 dist 9.34193 11.7103 4.65127 13.1258 8.97364 4.82351 10.5768 5.94827 7.55695 9.90939 numMergedOcc 0
2 mol 60 unq 2 iso 0 dist 9.34193 11.7103 4.65127 13.1258 8.97364 4.82351 6.27749 5.32257 8.82176 11.6165 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.91141 4.73318 6.48232 5.23492 8.87464 7.86177 10.1845 5.11416 7.04044 12.1382 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.91141 4.73318 6.48232 5.23492 8.87464 7.86177 10.8928 6.56633 8.73253 10.2755 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 5.79841 13.3069 8.70863 15.4219 9.66222 8.31077 12.3148 11.165 8.00777 15.6553 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 5.79841 13.3069 8.70863 15.4219 9.66222 8.31077 10.7029 9.29301 7.1589 14.4725 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.96613 6.4628 6.62972 5.24592 7.14031 8.53212 6.67936 4.67519 5.88354 5.59328 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.96613 6.4628 6.62972 5.24592 7.14031 8.53212 10.4233 6.6076 7.89665 10.0186 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 4.96613 6.4628 6.62972 5.24592 7.14031 8.53212 10.7879 10.6513 5.39354 10.3766 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 4.96613 6.4628 6.62972 5.24592 7.14031 8.53212 8.25817 10.4027 5.74854 7.5242 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 4.96613 6.4628 6.62972 5.24592 7.14031 8.53212 14.7214 12.3568 8.76566 15.4911 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 4.96613 6.4628 6.62972 5.24592 7.14031 8.53212 15.072 14.5457 8.8368 17.0991 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 9.69961 4.26804 9.77017 9.59885 7.80873 7.22444 6.85381 5.39346 8.729 10.7886 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 7.78223 10.8586 9.35942 9.76297 8.42878 10.5177 16.692 12.7083 6.34525 14.1487 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 7.78223 11.0397 7.42482 9.76297 8.42878 8.66057 13.5929 7.12268 9.7918 14.7674 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.13508 7.09096 9.9151 5.01597 7.20249 4.99495 9.93703 7.45148 7.99623 8.99399 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.86237 10.2048 9.94578 4.68204 9.73158 6.84211 11.5151 4.55551 8.03372 9.36851 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 9.86237 10.2048 9.94578 9.09658 7.59327 4.53459 11.5151 4.55551 8.03372 4.97175 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.02661 16.9837 8.2997 14.7933 6.88827 5.36428 12.0331 5.29529 9.56685 9.85289 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.02661 16.9837 8.2997 7.09841 9.16942 14.986 12.0331 5.29529 9.56685 14.1515 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 5.92532 8.7465 7.85414 5.10104 8.20644 5.43373 10.9325 6.28695 6.57903 10.5329 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 5.92532 8.7465 7.85414 5.10104 8.20644 5.43373 9.76735 4.39413 9.65707 11.3516 numMergedOcc 0
