0 mol 25 unq 0 iso 0 dist 8.66616 8.75375 7.24223 10.3522 13.1706 8.40483 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.19567 8.07389 13.637 5.84171 11.7216 9.07906 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.19567 8.07389 13.637 9.30759 15.7392 8.75567 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.34433 8.07389 6.33492 5.84171 13.3384 9.07906 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 9.34433 8.07389 6.33492 9.30759 9.58938 8.75567 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.23755 6.35752 11.6826 5.53115 12.0787 5.62694 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 9.70001 9.38764 5.78818 5.84594 10.7413 7.46793 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 9.70001 9.38764 5.78818 5.0826 10.4139 9.50837 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.65807 9.40368 12.215 12.7556 16.9615 7.13306 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 7.10839 6.09084 4.7023 5.01665 10.0841 9.3169 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 7.10839 6.09084 4.7023 4.9475 8.90592 5.5639 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 6.85063 8.50478 10.7517 7.02677 13.3329 8.79811 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 6.53933 9.94725 8.29536 8.89036 12.0512 7.52643 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.42226 8.13982 9.86458 4.70216 12.2935 9.37545 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 8.42226 8.13982 9.86458 6.13422 12.2248 6.02579 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 9.0815 6.28518 13.6293 8.89771 10.523 9.65041 numMergedOcc 0
16 mol 206 unq 1 iso 0 dist 7.53036 6.09565 7.48857 4.22704 5.79186 4.98125 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 5.99687 9.64316 5.67105 10.7618 9.92027 6.51465 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 9.84254 7.69711 7.9161 5.93705 10.9142 6.51465 numMergedOcc 0
19 mol 229 unq 2 iso 0 dist 7.10623 7.69711 5.67105 5.93705 9.92027 6.51465 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 8.80671 6.53528 10.727 6.05616 14.6201 9.04091 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 8.80671 6.53528 10.727 4.64011 12.5073 9.3624 numMergedOcc 0
22 mol 236 unq 2 iso 0 dist 9.81411 6.53528 6.25063 6.05616 14.3079 9.04091 numMergedOcc 0
23 mol 236 unq 3 iso 0 dist 9.81411 6.53528 6.25063 4.64011 12.2287 9.3624 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 7.84314 9.67363 3.72896 12.2549 6.83069 5.31041 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 5.41885 6.38041 7.39922 9.00146 13.2003 7.48298 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.98458 6.27395 9.0698 10.7661 16.0202 8.13183 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 9.98458 6.27395 9.0698 11.3436 12.5946 6.78929 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 6.93654 9.00616 14.3812 4.63237 11.3146 9.00426 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 6.93654 6.35699 10.8524 4.63237 11.3146 8.19348 numMergedOcc 0
30 mol 261 unq 2 iso 0 dist 9.66298 9.00616 18.2243 4.63237 13.063 9.00426 numMergedOcc 0
31 mol 261 unq 3 iso 0 dist 9.66298 6.35699 14.9188 4.63237 13.063 8.19348 numMergedOcc 0
