0 mol 7 unq 0 iso 0 dist 8.14952 5.83658 4.92824 13.9246 7.7393 8.23909 10.826 13.7022 9.60499 13.823 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.14952 5.83658 4.92824 6.08819 10.1037 6.72215 10.826 13.7022 9.60499 5.38502 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.66311 8.91266 7.00835 7.67076 7.54797 8.73627 4.15151 8.39221 6.38364 9.18933 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 8.63522 9.0361 10.2218 11.7098 17.616 9.01767 7.49575 12.8661 7.36792 6.42572 numMergedOcc 0
4 mol 102 unq 1 iso 0 dist 8.63522 9.0361 10.2218 5.51997 13.7049 9.80678 7.49575 12.8661 7.36792 5.54551 numMergedOcc 0
5 mol 102 unq 2 iso 0 dist 5.43401 9.0361 8.17186 11.7098 14.2643 9.01767 7.49575 9.10229 7.36792 6.42572 numMergedOcc 0
6 mol 102 unq 3 iso 0 dist 5.43401 9.0361 8.17186 5.51997 10.1221 9.80678 7.49575 9.10229 7.36792 5.54551 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.42175 5.81552 9.60908 5.16543 13.8231 6.85381 10.626 14.3405 9.60462 12.5148 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 9.42175 5.81552 9.60908 5.16543 13.8231 6.85381 5.27363 13.2326 7.45389 6.38057 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 11.6665 17.2805 6.86946 6.07331 11.6732 4.99221 5.889 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.98151 8.62711 6.75619 15.8417 13.0317 8.40046 10.345 12.4667 9.30299 9.75166 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 15.8912 9.58724 7.31105 10.6943 9.8711 9.23153 14.6296 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 7.86207 8.9077 4.90657 15.8912 9.58724 7.31105 15.396 12.6756 8.24498 9.52692 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 6.4556 5.90784 6.56437 11.4653 9.33771 8.95269 14.2632 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 7.62593 4.79841 5.41021 5.66462 9.97504 6.23882 11.4653 9.33771 8.95269 15.0038 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 7.62593 4.79841 5.41021 7.70922 8.50322 9.53131 11.4653 9.33771 8.95269 9.59595 numMergedOcc 0
16 mol 224 unq 3 iso 0 dist 7.62593 4.79841 5.41021 9.46589 11.1636 9.34636 11.4653 9.33771 8.95269 5.63485 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 11.47 12.7053 8.49299 7.37154 11.1105 6.7547 6.9602 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 8.83586 12.7053 8.49299 9.0274 11.1105 6.7547 6.9602 numMergedOcc 0
19 mol 230 unq 2 iso 0 dist 8.4739 9.12305 9.94041 8.83586 13.5839 8.49299 9.0274 14.5397 6.7547 6.9602 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 10.1358 10.4188 8.77254 5.52669 9.10613 8.04248 5.74377 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 9.13126 6.73134 6.0258 10.1358 10.4188 8.77254 5.27568 12.9448 8.35971 10.054 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 7.67871 15.2617 7.7993 16.581 19.9111 9.02271 13.0587 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 9.58767 8.07341 11.4733 12.5746 17.562 6.10761 16.581 19.9111 9.02271 4.70422 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 6.13416 9.50269 9.62828 6.5875 10.2386 8.02547 10.5691 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 7.50321 4.78812 5.96981 8.20642 11.7692 6.94346 5.27123 12.4617 8.33638 9.58279 numMergedOcc 0
26 mol 272 unq 1 iso 0 dist 7.50321 6.62923 7.55961 6.07797 11.0002 9.1118 11.9042 16.9946 9.97651 11.082 numMergedOcc 0
27 mol 272 unq 2 iso 0 dist 7.50321 6.62923 7.55961 6.07797 11.0002 9.1118 5.27123 12.4617 8.46116 6.72149 numMergedOcc 0
28 mol 272 unq 3 iso 0 dist 9.61597 4.78812 6.76845 8.20642 13.5127 6.94346 5.27123 13.2205 8.33638 9.58279 numMergedOcc 0
29 mol 272 unq 4 iso 0 dist 9.61597 6.62923 5.43733 6.07797 12.6575 9.1118 11.9042 15.2989 9.97651 11.082 numMergedOcc 0
30 mol 272 unq 5 iso 0 dist 9.61597 6.62923 5.43733 6.07797 12.6575 9.1118 5.27123 13.2205 8.46116 6.72149 numMergedOcc 0
31 mol 276 unq 0 iso 0 dist 8.14494 5.30976 9.95911 4.48428 10.7652 9.05218 7.38126 15.3786 9.8993 5.72513 numMergedOcc 0
32 mol 276 unq 1 iso 0 dist 8.14494 5.30976 9.95911 4.48428 10.7652 9.05218 6.39319 13.3495 6.87396 8.86096 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 8.57035 5.17586 6.03718 5.72978 12.0799 8.13489 5.9229 14.3672 9.70696 5.51096 numMergedOcc 0
