0 mol 69 unq 0 iso 0 dist 8.36667 8.24121 14.9981 8.52371 13.689 10.149 7.48749 15.3542 9.74996 8.21667 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 8.36667 8.24121 14.9981 6.8198 5.23597 12.0119 7.48749 15.3542 9.74996 13.047 numMergedOcc 0
2 mol 69 unq 2 iso 0 dist 8.36667 8.52371 13.689 8.24121 14.9981 10.149 7.48749 15.3542 8.21667 9.74996 numMergedOcc 0
3 mol 69 unq 3 iso 0 dist 8.36667 8.52371 13.689 6.8198 5.23597 9.16015 7.48749 15.3542 8.21667 13.047 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 8.91602 11.6194 7.40574 3.66319 11.3977 8.50159 12.4093 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 8.63522 7.48277 10.8684 9.0361 10.2218 9.15076 5.51997 13.7049 9.43411 9.80678 numMergedOcc 0
6 mol 102 unq 1 iso 0 dist 8.63522 9.0361 10.2218 7.48277 10.8684 9.15076 11.7098 17.616 9.01767 12.9236 numMergedOcc 0
7 mol 102 unq 2 iso 0 dist 8.63522 9.0361 10.2218 7.48277 10.8684 9.15076 5.51997 13.7049 9.80678 9.43411 numMergedOcc 0
8 mol 102 unq 3 iso 0 dist 5.43401 7.48277 9.76734 9.0361 8.17186 9.15076 5.51997 10.1221 9.43411 9.80678 numMergedOcc 0
9 mol 102 unq 4 iso 0 dist 5.43401 9.0361 8.17186 7.48277 9.76734 9.15076 11.7098 14.2643 9.01767 12.9236 numMergedOcc 0
10 mol 102 unq 5 iso 0 dist 5.43401 9.0361 8.17186 7.48277 9.76734 9.15076 5.51997 10.1221 9.80678 9.43411 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 8.35604 5.39296 10.2788 11.6665 17.2805 6.86946 16.2389 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 8.98151 8.62711 6.75619 6.65963 5.38 7.30196 15.8417 13.0317 8.40046 12.4824 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 9.92335 5.44596 4.83408 9.41832 8.78908 6.43459 8.91817 13.6724 9.93572 11.7961 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 9.92335 5.44596 4.83408 9.69069 12.2686 9.87462 8.91817 13.6724 9.93572 16.9576 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 8.98459 9.89142 6.89489 8.06091 11.0054 10.4637 9.75316 13.3005 9.82249 14.8915 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.35148 7.30244 10.48 7.29796 5.23846 6.89336 11.8854 16.9395 8.48112 14.9294 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 9.29204 7.34316 8.16187 9.94212 18.385 12.3422 6.5658 10.9317 7.82697 12.0329 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 9.14789 7.34316 11.2364 9.94212 19.0281 12.3422 6.5658 11.6333 7.82697 12.0329 numMergedOcc 0
19 mol 223 unq 2 iso 0 dist 7.80764 7.34316 11.4951 9.94212 4.67731 12.3422 6.5658 12.3717 7.82697 12.0329 numMergedOcc 0
20 mol 223 unq 3 iso 0 dist 5.75896 7.34316 5.18719 9.94212 7.19485 12.3422 6.5658 7.22882 7.82697 12.0329 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 7.43793 9.12305 6.87235 9.30906 5.4427 5.46301 8.83586 12.7053 8.49299 10.7576 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 8.4739 9.12305 9.94041 9.30906 5.52842 5.46301 8.83586 13.5839 8.49299 10.7576 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 6.08181 9.67877 5.09738 8.81059 13.8694 17.2075 9.0655 7.66806 5.73296 17.0459 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 6.08181 9.67877 5.09738 9.12006 14.0402 18.4031 9.0655 7.66806 5.73296 18.0882 numMergedOcc 0
25 mol 258 unq 2 iso 0 dist 7.70189 9.67877 10.4667 8.81059 9.22664 17.2075 9.0655 11.0415 5.73296 17.0459 numMergedOcc 0
26 mol 258 unq 3 iso 0 dist 7.70189 9.67877 10.4667 9.12006 13.0489 18.4031 9.0655 11.0415 5.73296 18.0882 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 9.43169 8.80293 5.51688 6.13416 9.50269 9.62828 13.3636 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 7.50321 4.78812 5.96981 6.62923 7.55961 5.40809 8.20642 11.7692 6.94346 11.7245 numMergedOcc 0
29 mol 272 unq 1 iso 0 dist 7.50321 6.62923 7.55961 4.78812 5.96981 5.40809 6.07797 11.0002 9.1118 10.342 numMergedOcc 0
30 mol 272 unq 2 iso 0 dist 9.61597 4.78812 6.76845 6.62923 5.43733 5.40809 8.20642 13.5127 6.94346 11.7245 numMergedOcc 0
31 mol 272 unq 3 iso 0 dist 9.61597 6.62923 5.43733 4.78812 6.76845 5.40809 6.07797 12.6575 9.1118 10.342 numMergedOcc 0
32 mol 276 unq 0 iso 0 dist 8.14494 8.28881 12.431 5.30976 9.95911 8.56707 4.48428 10.7652 7.70061 9.05218 numMergedOcc 0
33 mol 276 unq 1 iso 0 dist 8.14494 5.30976 9.95911 8.28881 12.431 8.56707 4.48428 10.7652 9.05218 7.70061 numMergedOcc 0
