0 mol 8 unq 0 iso 0 dist 9.80352 7.80368 8.33604 14.1396 8.27181 8.96553 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.36326 8.64255 7.685 13.0003 8.43188 7.31767 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.36326 8.64255 7.685 11.2263 10.3635 6.03987 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.08976 4.76147 9.16962 7.34549 11.887 8.34347 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.23418 5.46406 9.20119 9.74449 6.89191 7.58835 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.31622 9.78246 8.68586 14.0521 5.3948 9.67592 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 8.20634 10.3882 5.15851 15.3005 10.0425 7.79912 numMergedOcc 0
7 mol 75 unq 1 iso 0 dist 8.20634 10.3882 5.15851 18.4497 11.8774 8.56639 numMergedOcc 0
8 mol 75 unq 2 iso 0 dist 8.20634 10.3882 5.15851 17.834 10.0372 8.59017 numMergedOcc 0
9 mol 86 unq 0 iso 0 dist 9.71513 10.0943 7.79359 17.6022 9.68893 9.5497 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.77482 5.17524 6.62561 9.60425 11.3679 9.84395 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 9.77482 5.17524 6.62561 12.6233 4.91401 7.90328 numMergedOcc 0
12 mol 117 unq 2 iso 0 dist 9.77482 10.7342 7.63616 12.6233 4.91401 7.83136 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.70951 9.43252 9.63176 10.8195 10.6679 8.73993 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.70951 5.53626 7.44174 10.3424 7.36192 9.87172 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 9.02079 8.50937 8.74308 12.4719 6.76754 8.70949 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.06919 8.60204 9.31887 14.9052 11.0415 9.0018 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 7.06919 8.60204 9.31887 10.2595 5.0384 7.652 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.82604 5.49666 9.6668 7.15963 8.25067 9.15386 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.22583 11.755 7.98142 15.3001 9.53462 7.81386 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.22583 11.755 7.98142 9.50454 9.60512 7.63312 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 6.62037 5.49497 7.98142 12.074 9.53462 7.81386 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 6.62037 5.49497 7.98142 9.72791 9.60512 7.63312 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 6.21461 5.49497 7.37327 12.074 11.1462 7.81386 numMergedOcc 0
24 mol 181 unq 6 iso 0 dist 6.21461 5.49497 7.37327 9.72791 13.3389 7.63312 numMergedOcc 0
25 mol 182 unq 0 iso 0 dist 8.91389 4.61382 6.73313 13.3393 11.1088 9.31746 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.70674 12.9245 9.19704 13.1824 8.66809 6.03031 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 9.70674 12.9245 9.19704 6.04106 6.23291 7.26832 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 9.70674 12.9245 9.19704 19.8591 13.231 7.80463 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 6.553 12.2372 6.16063 16.592 11.3297 8.41436 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 6.553 12.2372 6.16063 12.9314 10.2563 8.92474 numMergedOcc 0
31 mol 235 unq 0 iso 0 dist 7.79898 11.3444 9.58736 11.1531 9.66021 5.4638 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.59305 4.88998 5.38637 8.39522 6.20606 6.57393 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 6.59305 5.87189 6.55759 5.99187 10.4664 7.31233 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 9.13022 4.67735 7.67322 11.3347 12.6986 7.31233 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 9.2456 5.5592 8.1777 10.212 5.39146 7.00034 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 5.68415 9.03495 6.77938 10.0986 4.99891 5.30224 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 7.74463 4.75685 6.34034 6.78702 6.43013 8.4218 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.92239 5.98235 7.97444 12.1214 6.8406 8.49997 numMergedOcc 0
