0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 12.6435 5.97852 9.64034 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 9.99467 5.97548 5.36278 9.5115 11.1943 8.26334 numMergedOcc 0
2 mol 29 unq 2 iso 0 dist 9.99467 9.88128 7.50258 12.6435 5.97852 6.04161 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.14072 9.90363 5.06188 5.41774 4.55422 7.78899 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 9.09831 6.76039 6.70095 9.33236 6.98415 9.73556 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.95571 11.806 9.24055 13.8101 6.39865 8.21139 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.92491 8.04327 5.73235 13.408 6.1999 6.14248 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.92491 14.685 7.48127 13.408 6.1999 6.97936 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 7.41861 7.7047 5.73235 6.63973 6.1999 6.14248 numMergedOcc 0
9 mol 76 unq 3 iso 0 dist 7.41861 4.00834 7.48127 6.63973 6.1999 6.97936 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.70808 5.7618 6.30896 10.4466 6.40382 6.84952 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 5.16531 12.2874 9.52061 14.5306 11.7456 8.57774 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 6.65878 5.0466 7.6453 11.4776 9.82512 9.31543 numMergedOcc 0
13 mol 129 unq 2 iso 0 dist 6.65878 5.0466 7.6453 8.09774 6.31483 8.85652 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.72039 7.53392 9.39389 12.2564 7.69707 8.62632 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.9268 14.0828 9.2759 10.2321 4.85121 5.9959 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 8.19166 11.5586 9.2759 10.9863 4.85121 5.9959 numMergedOcc 0
17 mol 139 unq 0 iso 0 dist 9.71665 5.61614 9.70154 7.02063 3.82037 6.79625 numMergedOcc 0
18 mol 139 unq 1 iso 0 dist 9.71665 4.94393 8.78382 7.02063 3.82037 7.20542 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 12.5347 5.47558 9.53944 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 9.05865 9.56212 8.10386 12.5742 5.03109 8.82169 numMergedOcc 0
21 mol 187 unq 0 iso 0 dist 7.87608 8.91643 8.0501 8.94341 3.94358 5.7938 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 5.21088 4.65303 7.36571 7.93715 6.62595 5.77035 numMergedOcc 0
23 mol 192 unq 1 iso 0 dist 8.25609 4.65303 9.17137 7.93715 12.1003 5.77035 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 9.04342 4.03375 5.61326 10.3127 4.3166 7.75518 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 12.239 10.4922 5.63283 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 8.69512 10.4922 5.63283 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 9.03261 9.96567 8.74399 12.6825 5.27153 8.31266 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 9.51001 11.094 4.71683 17.9225 10.7395 9.67162 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 4.53228 6.54316 7.58554 7.96523 7.26668 7.98794 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 8.54078 6.2497 7.58554 12.4753 7.26668 7.98794 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 8.17026 6.30651 5.53369 15.1089 8.86983 9.81589 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 8.43002 6.30651 8.57274 15.1089 15.1125 9.81589 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 11.9041 10.6488 8.95841 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 7.38536 6.37482 6.32984 10.6626 5.76392 5.49829 numMergedOcc 0
35 mol 285 unq 1 iso 0 dist 7.38536 6.37482 6.32984 5.09181 4.4744 6.24134 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 7.3388 5.66584 6.96774 9.27722 3.85958 7.19568 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 6.96248 5.66584 7.14859 9.27722 5.93557 7.19568 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 7.3388 5.66584 6.96774 9.27722 3.85958 7.19568 numMergedOcc 0
39 mol 288 unq 1 iso 0 dist 6.96248 5.66584 7.14859 9.27722 5.93557 7.19568 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 7.3388 5.66584 6.96774 9.27722 3.85958 7.19568 numMergedOcc 0
41 mol 289 unq 1 iso 0 dist 6.96248 5.66584 7.14859 9.27722 5.93557 7.19568 numMergedOcc 0
