0 mol 9 unq 0 iso 0 dist 7.95202 4.75933 6.9513 7.25179 4.61049 6.33889 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.21942 6.35665 6.9513 8.72522 4.61049 6.33889 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.75249 4.75933 9.16116 7.25179 6.64015 6.33889 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.38082 6.35665 9.16116 8.72522 6.64015 6.33889 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.23418 5.37722 8.59109 11.5024 9.01651 7.06308 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 8.23418 5.37722 8.59109 9.74449 6.89191 6.34173 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 8.23418 5.37722 8.59109 11.876 5.54436 9.43442 numMergedOcc 0
7 mol 45 unq 3 iso 0 dist 8.23418 12.8536 8.13782 13.5961 7.39653 6.99408 numMergedOcc 0
8 mol 45 unq 4 iso 0 dist 8.23418 12.8536 8.13782 18.362 10.6095 9.3403 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 9.74768 4.54208 7.12746 11.1067 4.91474 7.72108 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 9.79476 4.39332 6.52726 10.0175 6.25861 8.36733 numMergedOcc 0
11 mol 105 unq 1 iso 0 dist 5.74995 4.39332 6.50017 10.0175 9.02292 8.36733 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.36283 5.39389 7.99631 5.11612 6.34759 7.76729 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.33375 6.15672 6.4218 6.76166 5.9915 8.94837 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.33375 6.15672 6.4218 7.2977 10.7186 7.77454 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 7.59889 10.1479 5.63811 13.4254 6.69673 6.95323 numMergedOcc 0
16 mol 140 unq 1 iso 0 dist 7.59889 10.1479 5.63811 15.3913 8.17877 7.27371 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.96294 9.64591 6.2135 12.8991 7.57216 6.93652 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.96294 9.64591 6.2135 13.7269 6.96143 9.54444 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 9.76389 10.6438 6.2135 11.6196 7.57216 6.93652 numMergedOcc 0
20 mol 141 unq 3 iso 0 dist 9.76389 10.6438 6.2135 14.6025 6.96143 9.54444 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 7.06919 6.77092 4.79852 14.9052 11.0415 9.8589 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 7.06919 6.77092 4.79852 10.2595 5.0384 7.24908 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 7.82604 9.09192 8.20656 7.15963 8.25067 6.94688 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.82604 12.1848 9.40622 7.15963 8.25067 6.71012 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 8.6925 9.26051 8.74171 14.7625 11.1063 6.68292 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 8.03194 4.40481 6.75035 10.7262 10.2673 7.17547 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 8.03194 4.40481 6.75035 11.0189 6.60235 7.13323 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 7.21089 15.3506 8.75834 17.6996 10.7506 5.50387 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 6.553 12.2893 8.49841 4.91961 5.56749 9.5707 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 7.8126 9.12208 7.27958 15.154 10.6981 8.21247 numMergedOcc 0
31 mol 243 unq 0 iso 0 dist 8.08534 6.01814 8.93338 13.4752 10.5389 8.61104 numMergedOcc 0
