0 mol 19 unq 0 iso 0 dist 8.40009 6.50749 8.78293 10.5638 5.31524 7.20519 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.40009 6.50749 8.78293 10.3036 10.9543 4.54938 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.40009 6.50749 8.78293 13.0647 11.4401 6.864 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 8.97657 11.5539 8.23643 17.3673 11.0832 7.20519 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 8.97657 11.5539 8.23643 12.7771 6.55187 4.54938 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 8.97657 11.5539 8.23643 17.6819 12.3093 6.864 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 8.97657 7.65931 8.73972 12.7771 6.55187 7.82074 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 5.46378 6.44262 7.685 9.07927 8.43188 7.31767 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 5.46378 6.44262 7.685 8.50987 10.3635 6.03987 numMergedOcc 0
9 mol 52 unq 0 iso 0 dist 9.28632 6.01116 7.18176 12.5042 5.93337 9.80098 numMergedOcc 0
10 mol 52 unq 1 iso 0 dist 9.28632 6.01116 7.18176 6.08894 4.5482 7.34143 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 8.62501 5.83686 8.24062 10.5281 5.3525 7.71095 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 8.62501 5.83686 8.24062 11.8967 11.0387 8.84665 numMergedOcc 0
13 mol 59 unq 2 iso 0 dist 8.62501 5.83686 8.24062 12.977 9.15805 8.25513 numMergedOcc 0
14 mol 70 unq 0 iso 0 dist 8.82184 10.0449 7.92394 10.6718 6.65811 9.65964 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.97598 4.31214 8.66514 12.6459 8.4283 9.36773 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 7.44647 9.86323 9.25235 8.71603 5.37521 9.36773 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 7.83743 5.61542 8.68821 9.81252 5.33327 7.35754 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 8.50625 10.7122 8.59981 15.6545 14.9761 8.14887 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 8.50625 10.7122 8.59981 10.8022 14.085 9.30299 numMergedOcc 0
20 mol 127 unq 2 iso 0 dist 8.97156 13.0804 9.81878 10.5533 4.77464 9.30299 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 9.47487 17.6057 8.99696 14.1259 9.82139 8.56633 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 6.56655 5.4238 7.46831 11.296 6.67959 8.85478 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 5.99388 5.19951 6.16063 13.4078 11.3297 8.41436 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 5.99388 5.19951 6.16063 12.7045 10.2563 8.92474 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.21984 6.2683 6.91569 12.1817 10.9761 6.57393 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 7.35524 4.94369 7.20082 10.4143 7.04058 7.00034 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 6.88731 6.94683 7.39747 10.9983 6.26168 7.00034 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.33529 10.9904 8.50864 11.5956 10.1857 7.69895 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 8.16932 7.80626 7.66365 10.1414 4.23801 8.1148 numMergedOcc 0
30 mol 252 unq 1 iso 0 dist 8.16932 7.80626 7.66365 13.8331 9.37715 8.33025 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 9.19369 5.07898 7.48005 11.1914 11.6195 7.88519 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 9.19369 5.07898 7.48005 8.70852 11.8736 7.84554 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 9.19369 5.07898 7.48005 9.89728 5.79468 7.46176 numMergedOcc 0
34 mol 259 unq 3 iso 0 dist 9.19369 5.07898 7.48005 6.42437 12.6649 9.18903 numMergedOcc 0
35 mol 259 unq 4 iso 0 dist 9.19369 15.9608 8.37865 14.0886 5.31048 5.30224 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 6.61098 15.2943 9.5784 16.2212 9.85579 9.361 numMergedOcc 0
37 mol 264 unq 1 iso 0 dist 6.61098 15.2943 9.5784 15.0649 9.67998 6.24356 numMergedOcc 0
38 mol 264 unq 2 iso 0 dist 6.25794 12.3535 9.5784 14.524 9.85579 9.361 numMergedOcc 0
39 mol 264 unq 3 iso 0 dist 6.25794 12.3535 9.5784 14.4751 9.67998 6.24356 numMergedOcc 0
40 mol 278 unq 0 iso 0 dist 9.67306 5.20105 6.35287 11.4211 6.07447 8.44326 numMergedOcc 0
