0 mol 8 unq 0 iso 0 dist 9.95422 6.92865 12.3778 6.88402 13.3838 8.99126 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.65219 6.92865 5.95251 6.88402 5.46588 8.99126 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.8824 7.84393 10.38 6.31174 13.0619 8.73972 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.33492 7.84393 6.01189 6.31174 5.36258 8.73972 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.58581 6.85331 6.88453 8.91397 13.8202 9.75144 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.65989 5.36645 10.2391 4.16088 9.10314 8.09058 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.66272 5.36645 10.8186 4.16088 10.5108 8.09058 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 9.85982 5.57389 5.31976 7.01859 9.01261 7.96497 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 7.32268 8.24121 8.0675 6.51655 11.1265 7.04352 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 7.32268 8.24121 8.0675 15.9496 12.5 8.1114 numMergedOcc 0
10 mol 94 unq 0 iso 0 dist 9.59655 9.10488 12.4105 7.0184 14.0927 8.3586 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.36674 9.56867 16.6569 7.97477 14.6895 6.99777 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 9.36674 9.56867 16.6569 6.58038 13.6085 9.14376 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.64438 6.85677 5.81718 9.87733 7.41608 9.80862 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.64438 6.85677 5.81718 11.7378 6.36583 8.43904 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 7.73306 6.495 11.6877 10.343 14.6742 6.03703 numMergedOcc 0
16 mol 132 unq 1 iso 0 dist 7.73306 9.43748 11.8999 10.343 14.6742 7.61505 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.84695 5.67862 8.44345 6.30187 13.1565 5.42582 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.84695 7.97208 7.46245 6.30187 13.1565 8.6355 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 9.35707 9.41832 12.5321 6.92517 13.5695 6.95323 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 9.35707 5.44596 11.9489 6.92517 13.5695 7.27371 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 9.30469 6.73365 12.0877 7.92448 13.1492 9.0664 numMergedOcc 0
22 mol 219 unq 0 iso 0 dist 9.48678 8.09769 13.0834 7.42613 14.4769 4.87541 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 8.37469 8.9077 16.7786 10.4277 17.5033 6.84247 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 8.37469 8.9077 16.7786 12.6281 18.3255 6.99002 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 9.31156 4.79841 6.87755 5.64308 8.76325 7.06793 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 9.31156 4.79841 6.87755 7.32238 12.0468 6.67585 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 6.87809 6.01168 6.24198 6.40204 10.6028 6.15305 numMergedOcc 0
28 mol 240 unq 1 iso 0 dist 6.87809 6.01168 6.24198 11.4113 13.0048 8.0951 numMergedOcc 0
29 mol 240 unq 2 iso 0 dist 6.87809 7.72928 5.90601 6.40204 10.6028 7.03489 numMergedOcc 0
30 mol 247 unq 0 iso 0 dist 7.49895 7.29178 5.61078 4.15871 9.70618 6.6838 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 9.06244 9.51581 7.94567 10.8603 11.4162 7.32347 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 7.78736 6.86342 11.5163 5.13259 10.435 7.52785 numMergedOcc 0
33 mol 284 unq 1 iso 0 dist 7.78736 9.41428 15.042 5.90634 11.3681 8.41504 numMergedOcc 0
34 mol 284 unq 2 iso 0 dist 8.19742 9.41428 10.6793 5.90634 12.476 8.41504 numMergedOcc 0
