0 mol 0 unq 0 iso 0 dist 8.79328 10.4684 8.24206 10.0872 9.5614 13.3337 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.79328 3.81329 6.19218 10.0872 9.5614 6.83587 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 9.22115 8.4301 7.15734 6.3891 6.77563 5.32128 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 9.28363 4.53196 5.86243 6.13482 7.57586 5.39129 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 4.96341 4.64154 7.95419 7.12257 9.06397 5.27155 numMergedOcc 0
5 mol 51 unq 1 iso 0 dist 8.85165 7.00731 7.95419 9.82638 9.06397 5.27155 numMergedOcc 0
6 mol 51 unq 2 iso 0 dist 8.98276 9.74503 7.95419 13.6568 9.06397 5.27155 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 6.27017 7.95967 9.86958 4.23724 9.99634 10.8691 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.07461 9.16007 8.98459 12.3285 9.89142 6.89489 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 8.07461 9.16007 8.98459 5.88416 8.06091 11.0054 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 7.04009 6.20034 9.82329 7.01116 8.58946 13.1346 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 8.87968 11.3263 5.97008 4.87938 8.84671 8.75092 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.72113 13.0532 9.08767 10.479 9.08672 5.17355 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 8.29482 4.89824 6.01666 9.7524 9.90668 5.42652 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 5.51354 4.80435 9.86417 6.75711 9.88212 9.38348 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 9.10041 15.4738 9.29204 11.1577 9.94212 18.385 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 9.10041 15.4738 9.29204 14.2827 7.34316 8.16187 numMergedOcc 0
17 mol 223 unq 2 iso 0 dist 9.10041 14.4135 9.14789 11.1577 9.94212 19.0281 numMergedOcc 0
18 mol 223 unq 3 iso 0 dist 9.10041 14.4135 9.14789 14.2827 7.34316 11.2364 numMergedOcc 0
19 mol 223 unq 4 iso 0 dist 9.10041 6.59509 7.80764 11.1577 9.94212 4.67731 numMergedOcc 0
20 mol 223 unq 5 iso 0 dist 9.10041 6.59509 7.80764 14.2827 7.34316 11.4951 numMergedOcc 0
21 mol 223 unq 6 iso 0 dist 9.10041 11.687 5.75896 11.1577 9.94212 7.19485 numMergedOcc 0
22 mol 223 unq 7 iso 0 dist 9.10041 11.687 5.75896 14.2827 7.34316 5.18719 numMergedOcc 0
23 mol 250 unq 0 iso 0 dist 8.27072 9.42092 8.38141 4.75034 8.60184 7.64126 numMergedOcc 0
24 mol 250 unq 1 iso 0 dist 8.27072 7.36533 5.08366 4.75034 8.60184 5.03985 numMergedOcc 0
25 mol 250 unq 2 iso 0 dist 8.27072 4.40387 8.18086 4.75034 8.60184 8.69877 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.88518 3.7042 6.08181 5.29393 9.67877 5.09738 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 8.88518 3.7042 6.08181 17.2521 8.81059 13.8694 numMergedOcc 0
28 mol 258 unq 2 iso 0 dist 8.88518 3.7042 6.08181 16.8571 9.12006 14.0402 numMergedOcc 0
29 mol 258 unq 3 iso 0 dist 8.88518 13.1596 7.70189 5.29393 9.67877 10.4667 numMergedOcc 0
30 mol 258 unq 4 iso 0 dist 8.88518 13.1596 7.70189 17.2521 8.81059 9.22664 numMergedOcc 0
31 mol 258 unq 5 iso 0 dist 8.88518 13.1596 7.70189 16.8571 9.12006 13.0489 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 8.43749 13.7732 9.56472 4.75685 7.54805 15.4199 numMergedOcc 0
33 mol 265 unq 1 iso 0 dist 8.43749 11.9238 6.5072 4.75685 7.54805 12.4903 numMergedOcc 0
34 mol 265 unq 2 iso 0 dist 8.43749 6.97261 4.03921 4.75685 7.54805 5.11366 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 9.70632 12.8161 9.58577 4.97892 7.72749 10.2159 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 7.14304 10.8484 9.07452 4.29576 6.21831 6.57235 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 7.14304 4.33461 7.21004 4.29576 6.21831 4.97216 numMergedOcc 0
38 mol 276 unq 0 iso 0 dist 7.33987 4.93962 8.14494 10.7763 8.28881 12.431 numMergedOcc 0
39 mol 276 unq 1 iso 0 dist 7.33987 4.93962 8.14494 6.23528 5.30976 9.95911 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 8.93979 7.27711 8.57035 4.51764 5.17586 6.03718 numMergedOcc 0
41 mol 281 unq 0 iso 0 dist 9.13318 6.30922 6.7897 4.77509 9.48968 5.71767 numMergedOcc 0
