0 mol 18 unq 0 iso 0 dist 7.23594 9.00899 4.59668 5.03451 10.0997 10.3665 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.23594 7.826 13.2203 5.03451 10.0997 3.17053 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 8.05598 6.02824 4.24251 5.58536 9.13772 7.69482 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 7.34019 6.1084 4.24251 6.6055 8.76585 10.5994 numMergedOcc 0
4 mol 36 unq 2 iso 0 dist 8.43828 6.1084 9.98403 6.6055 8.91922 10.5994 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 9.31319 9.72136 13.1434 9.942 15.711 3.7765 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 9.31319 9.72136 13.1434 5.92771 7.13979 13.4768 numMergedOcc 0
7 mol 46 unq 2 iso 0 dist 9.31319 4.61355 10.9054 9.942 15.711 9.44812 numMergedOcc 0
8 mol 46 unq 3 iso 0 dist 9.31319 4.61355 10.9054 5.92771 7.13979 6.08836 numMergedOcc 0
9 mol 46 unq 4 iso 0 dist 8.2513 9.72136 14.5035 9.942 16.0486 3.7765 numMergedOcc 0
10 mol 46 unq 5 iso 0 dist 8.2513 9.72136 14.5035 5.92771 9.26597 13.4768 numMergedOcc 0
11 mol 46 unq 6 iso 0 dist 8.2513 4.61355 12.3186 9.942 16.0486 9.44812 numMergedOcc 0
12 mol 46 unq 7 iso 0 dist 8.2513 4.61355 12.3186 5.92771 9.26597 6.08836 numMergedOcc 0
13 mol 69 unq 0 iso 0 dist 6.27528 6.22498 5.10993 7.07055 5.54818 3.78604 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 6.05043 9.05612 3.94537 9.64287 4.23405 5.38692 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 5.94478 9.43076 6.80028 7.85115 8.02001 14.3087 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 7.43775 5.42764 4.0204 8.88554 9.78876 6.58474 numMergedOcc 0
17 mol 122 unq 1 iso 0 dist 8.09594 5.42764 3.90443 8.88554 4.59202 6.58474 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 8.87148 8.18122 4.1335 9.85144 6.21159 3.3389 numMergedOcc 0
19 mol 123 unq 1 iso 0 dist 9.26057 6.70684 4.1335 6.60464 6.21159 3.3389 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 6.7319 8.1368 11.4245 8.72521 10.9086 8.92479 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 6.7319 8.1368 11.4245 8.19373 7.02542 9.04685 numMergedOcc 0
22 mol 148 unq 0 iso 0 dist 9.7168 9.8506 15.239 7.91749 6.77599 13.5156 numMergedOcc 0
23 mol 148 unq 1 iso 0 dist 7.38138 9.8506 8.68046 7.91749 10.2375 13.5156 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 9.61132 9.91991 15.2388 7.96309 6.74495 13.6094 numMergedOcc 0
25 mol 150 unq 1 iso 0 dist 7.34423 9.91991 8.55576 7.96309 10.2651 13.6094 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 8.1504 6.22696 4.63654 4.80508 6.81208 5.09517 numMergedOcc 0
27 mol 158 unq 1 iso 0 dist 8.1504 6.22696 4.63654 4.88625 5.74997 6.2149 numMergedOcc 0
28 mol 182 unq 0 iso 0 dist 6.31492 8.45614 4.88992 8.43599 11.1685 12.3855 numMergedOcc 0
29 mol 198 unq 0 iso 0 dist 5.80867 8.37455 6.0599 7.48253 4.27652 3.4601 numMergedOcc 0
30 mol 198 unq 1 iso 0 dist 9.4363 8.80827 15.1173 6.13687 4.27652 12.096 numMergedOcc 0
31 mol 198 unq 2 iso 0 dist 9.4363 8.17562 6.0599 6.13687 4.27652 3.4601 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 8.3035 8.9694 8.48942 6.03628 4.15355 5.22858 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 9.01896 8.70011 8.52282 7.81831 7.79075 3.64285 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 5.52981 5.92364 6.04002 8.5458 9.81852 6.16586 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 6.22077 5.92364 6.45316 8.5458 3.61669 6.16586 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.29203 9.97859 16.7443 9.59909 8.71924 14.95 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 7.62771 9.97859 13.1408 9.59909 4.56594 14.95 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 7.80166 9.97859 10.4706 9.59909 14.2741 14.95 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 9.22576 7.74312 4.13216 8.08382 6.68639 3.66473 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 9.22576 7.74312 4.13216 8.08382 6.68639 3.66473 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 9.22576 7.74312 4.13216 8.08382 6.68639 3.66473 numMergedOcc 0
