0 mol 48 unq 0 iso 0 dist 9.14072 5.41774 4.55422 9.90363 5.06188 7.78899 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 9.09831 9.33236 6.98415 6.76039 6.70095 9.73556 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.41861 6.63973 6.1999 7.7047 5.73235 6.14248 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.41861 6.63973 6.1999 4.00834 7.48127 6.97936 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 7.41861 6.63973 6.1999 9.6911 11.1162 5.00466 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.73946 6.31773 5.34438 10.7419 13.3539 8.86846 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 5.16531 6.53559 9.54936 11.236 16.1491 8.85652 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 6.65878 8.09774 6.31483 5.0466 7.6453 8.85652 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.74058 5.82945 6.5713 7.43279 12.4848 9.67398 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 5.74058 5.82945 6.5713 9.91399 12.7322 7.15213 numMergedOcc 0
10 mol 139 unq 0 iso 0 dist 9.71665 7.02063 3.82037 5.61614 9.70154 6.79625 numMergedOcc 0
11 mol 139 unq 1 iso 0 dist 9.71665 7.02063 3.82037 4.94393 8.78382 7.20542 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 9.22494 7.25009 12.7495 7.64573 13.5384 5.55218 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 5.21088 7.93715 6.62595 8.19854 9.3964 5.08603 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 5.21088 7.93715 6.62595 4.65303 7.36571 5.77035 numMergedOcc 0
15 mol 192 unq 2 iso 0 dist 9.78743 7.93715 13.2141 8.19854 10.4355 5.08603 numMergedOcc 0
16 mol 192 unq 3 iso 0 dist 9.78743 7.93715 13.2141 4.65303 12.4457 5.77035 numMergedOcc 0
17 mol 192 unq 4 iso 0 dist 8.25609 7.93715 12.1003 8.19854 14.7669 5.08603 numMergedOcc 0
18 mol 192 unq 5 iso 0 dist 8.25609 7.93715 12.1003 4.65303 9.17137 5.77035 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 6.66555 7.85801 6.90307 5.60329 10.9052 8.44337 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 5.47586 8.69512 10.4922 7.47443 6.43519 5.63283 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 6.60429 8.69512 15.2328 7.47443 12.9615 5.63283 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 4.53228 7.96523 7.26668 10.7482 13.2286 9.32928 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 4.53228 7.96523 7.26668 6.54316 7.58554 7.98794 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 6.91029 8.89714 9.23419 15.6015 14.457 6.95569 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 7.38536 5.09181 4.4744 6.37482 6.32984 6.24134 numMergedOcc 0
