0 mol 7 unq 0 iso 0 dist 7.38748 9.96415 4.65291 14.6751 12.8922 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.38748 9.96415 4.65291 7.15287 6.8464 5.99459 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.69637 8.14598 5.37421 9.20254 12.0295 7.95042 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.06142 8.25594 13.3076 15.6547 21.829 9.03564 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 8.41264 8.25594 9.40102 15.6547 16.5629 9.03564 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.27009 6.44825 11.2455 11 17.692 8.3733 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 5.80736 6.44825 3.83735 11 12.0054 8.3733 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.73235 6.14248 6.1999 5.82267 11.0719 8.23026 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 7.48127 6.97936 6.1999 12.6179 11.0719 8.23026 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 6.22441 8.44482 10.8407 11.0048 16.2813 9.87329 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 5.91543 8.44482 6.37184 11.0048 14.0053 9.87329 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 6.30896 6.84952 6.40382 5.82029 9.4286 7.02507 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.52061 8.57774 11.7456 5.99695 8.59695 5.58833 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.61101 9.71342 7.04681 6.29782 6.42706 5.58833 numMergedOcc 0
14 mol 129 unq 2 iso 0 dist 7.6453 9.31543 9.82512 4.80675 8.00624 6.69691 numMergedOcc 0
15 mol 129 unq 3 iso 0 dist 7.6453 8.85652 6.31483 4.80675 8.00624 5.51197 numMergedOcc 0
16 mol 132 unq 0 iso 0 dist 9.39389 8.62632 7.69707 11.6877 12.625 6.89918 numMergedOcc 0
17 mol 132 unq 1 iso 0 dist 9.39389 8.62632 7.69707 11.8999 14.9674 7.89457 numMergedOcc 0
18 mol 139 unq 0 iso 0 dist 9.70154 6.79625 3.82037 8.16051 8.96275 5.80789 numMergedOcc 0
19 mol 139 unq 1 iso 0 dist 8.78382 7.20542 3.82037 4.78289 8.96275 5.80789 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.92801 8.39573 3.97523 12.5935 12.8027 9.01624 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.92801 8.39573 3.97523 4.681 4.71906 5.05973 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 9.40718 8.39573 9.76508 12.5935 11.9989 9.01624 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 9.40718 8.39573 9.76508 4.681 10.9766 5.05973 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.2254 5.27578 12.8633 7.82249 15.0175 9.3498 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.2254 5.27578 12.8633 9.09826 18.1056 7.05695 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 9.69055 9.63224 5.41626 6.34098 9.63234 9.78634 numMergedOcc 0
27 mol 192 unq 1 iso 0 dist 9.69055 6.98794 3.98653 6.34098 9.63234 5.64942 numMergedOcc 0
28 mol 192 unq 2 iso 0 dist 9.69055 6.98794 3.98653 9.57246 10.0027 6.97962 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 6.80214 6.16832 3.95204 5.04898 10.6651 9.35274 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.03925 8.57781 4.67513 15.4433 12.6229 8.08349 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 7.03925 8.57781 4.67513 10.8616 13.0626 9.78218 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 7.65121 8.94981 11.8703 17.0867 18.4783 8.1945 numMergedOcc 0
33 mol 225 unq 1 iso 0 dist 7.65121 8.94981 11.8703 6.89798 13.147 6.50998 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 7.65121 5.90986 4.88404 6.89798 13.147 9.09424 numMergedOcc 0
35 mol 225 unq 3 iso 0 dist 7.65121 7.50697 13.6563 6.89798 13.147 8.14831 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 4.71683 9.67162 10.7395 5.52669 9.44496 8.23087 numMergedOcc 0
37 mol 255 unq 0 iso 0 dist 7.57779 7.58813 8.06922 9.02294 13.7984 6.87333 numMergedOcc 0
38 mol 255 unq 1 iso 0 dist 7.57779 7.58813 8.06922 4.15604 11.7229 9.86207 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 8.54422 8.40328 11.0103 6.18571 13.119 5.85442 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 8.54422 8.40328 11.0103 12.3834 14.1987 6.9899 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 8.54422 8.2518 10.099 11.0067 17.5095 9.46361 numMergedOcc 0
42 mol 259 unq 3 iso 0 dist 8.54422 8.2518 10.099 6.18571 13.119 6.95511 numMergedOcc 0
43 mol 259 unq 4 iso 0 dist 7.67473 8.40328 8.71577 6.18571 10.895 5.85442 numMergedOcc 0
44 mol 259 unq 5 iso 0 dist 7.67473 8.40328 8.71577 12.3834 14.0551 6.9899 numMergedOcc 0
45 mol 259 unq 6 iso 0 dist 7.67473 8.2518 6.47425 11.0067 13.7569 9.46361 numMergedOcc 0
46 mol 259 unq 7 iso 0 dist 7.67473 8.2518 6.47425 6.18571 10.895 6.95511 numMergedOcc 0
47 mol 273 unq 0 iso 0 dist 5.78262 6.95569 12.7125 11.0966 16.2765 6.31969 numMergedOcc 0
48 mol 273 unq 1 iso 0 dist 7.6489 6.95569 10.8576 11.0966 15.7926 6.31969 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 8.15119 9.91103 13.1828 16.3552 14.8509 9.57499 numMergedOcc 0
50 mol 277 unq 1 iso 0 dist 8.15119 9.91103 13.1828 10.4297 9.92831 5.46926 numMergedOcc 0
51 mol 277 unq 2 iso 0 dist 8.15119 9.91103 13.1828 5.77904 4.81916 8.9682 numMergedOcc 0
52 mol 277 unq 3 iso 0 dist 8.15119 7.0603 10.6994 10.4297 9.92831 5.13913 numMergedOcc 0
53 mol 277 unq 4 iso 0 dist 8.15119 7.0603 10.6994 5.77904 4.81916 6.92711 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 4.45141 7.4869 4.06908 6.07005 5.41639 6.02353 numMergedOcc 0
55 mol 280 unq 1 iso 0 dist 4.45141 7.4869 4.06908 7.38048 7.96485 6.86234 numMergedOcc 0
56 mol 285 unq 0 iso 0 dist 7.872 6.24134 11.5704 9.237 15.1926 7.80862 numMergedOcc 0
57 mol 285 unq 1 iso 0 dist 6.32984 6.24134 4.4744 9.237 8.46833 7.80862 numMergedOcc 0
