0 mol 11 unq 0 iso 0 dist 9.64228 9.09133 6.55715 9.76481 11.2277 14.5802 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.90473 7.12852 4.74747 4.9737 5.81765 6.78223 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.36524 5.73257 8.90278 7.66913 7.86199 4.41248 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 6.84521 7.84444 8.01951 9.35453 10.7805 4.73658 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.90024 7.84444 12.2025 9.35453 13.5667 4.73658 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 6.78532 7.84444 7.68348 9.35453 7.42491 4.73658 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.27156 4.89196 5.49555 9.51503 10.0059 7.12967 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 6.77833 8.06918 6.65811 6.13606 4.36555 9.29381 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 6.77833 7.52623 5.47516 6.13606 4.36555 6.40963 numMergedOcc 0
9 mol 70 unq 2 iso 0 dist 6.77833 5.62294 11.0952 6.13606 4.36555 8.69313 numMergedOcc 0
10 mol 70 unq 3 iso 0 dist 9.83265 8.56968 6.65811 8.42287 4.36555 9.29381 numMergedOcc 0
11 mol 70 unq 4 iso 0 dist 9.83265 7.31655 5.47516 8.42287 4.36555 6.40963 numMergedOcc 0
12 mol 70 unq 5 iso 0 dist 9.83265 7.99569 11.0952 8.42287 4.36555 8.69313 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.96446 9.62702 10.9381 6.15011 8.70803 13.5159 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.96446 6.97484 12.1976 6.15011 8.70803 6.50817 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 6.70686 9.62702 7.17408 6.15011 8.87994 13.5159 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 6.70686 6.97484 10.944 6.15011 8.87994 6.50817 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 8.86938 6.85365 12.8768 8.65004 11.8396 6.35738 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 8.86938 6.85365 12.8768 9.86487 18.0868 10.8329 numMergedOcc 0
19 mol 112 unq 2 iso 0 dist 7.42474 6.85365 6.35364 8.65004 12.2656 6.35738 numMergedOcc 0
20 mol 112 unq 3 iso 0 dist 7.42474 6.85365 6.35364 9.86487 5.76986 10.8329 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.66715 4.95674 12.0863 9.29665 17.3196 6.61001 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 9.00172 4.95674 9.53782 9.29665 16.1302 6.61001 numMergedOcc 0
23 mol 154 unq 0 iso 0 dist 6.44195 5.81632 5.83431 8.85675 10.0639 4.70993 numMergedOcc 0
24 mol 154 unq 1 iso 0 dist 7.34207 5.81632 6.53652 8.85675 5.27847 4.70993 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 8.27794 9.34871 6.14208 6.02094 10.2585 11.6678 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.27794 5.55727 5.95965 6.02094 10.2585 5.42554 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 9.25882 6.37411 12.1001 6.32542 6.09749 11.9538 numMergedOcc 0
28 mol 209 unq 0 iso 0 dist 5.92907 5.20111 6.43758 9.17634 10.6456 4.68679 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 6.45574 6.43838 10.6981 4.46919 7.60081 4.29892 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 6.45574 9.24964 9.66021 4.46919 7.60081 13.128 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 6.95233 9.15288 4.27792 8.31182 9.2768 9.15303 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 6.95233 6.11795 11.5523 8.31182 9.2768 9.68991 numMergedOcc 0
33 mol 266 unq 2 iso 0 dist 9.61741 9.15288 14.2479 8.31182 5.82477 9.15303 numMergedOcc 0
34 mol 266 unq 3 iso 0 dist 9.61741 6.11795 6.98866 8.31182 5.82477 9.68991 numMergedOcc 0
35 mol 266 unq 4 iso 0 dist 5.61056 9.15288 10.5058 8.31182 7.15796 9.15303 numMergedOcc 0
36 mol 266 unq 5 iso 0 dist 5.61056 6.11795 5.19574 8.31182 7.15796 9.68991 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 9.79022 9.93542 7.00883 6.59092 7.81483 6.2726 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.13226 8.38395 6.68358 6.74022 5.29529 4.60275 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 9.38793 9.28545 17.5025 7.64361 16.4697 5.7252 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 6.52188 6.78323 6.24406 9.35785 10.173 4.12456 numMergedOcc 0
41 mol 281 unq 0 iso 0 dist 9.27716 9.26654 6.82073 9.42297 11.6729 14.9634 numMergedOcc 0
