0 mol 1 unq 0 iso 0 dist 9.76602 5.55519 6.2936 9.84669 7.83632 10.7639 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.44507 14.2845 8.98417 6.77783 5.497 10.7786 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 5.66743 7.71964 7.96312 11.6846 7.60283 15.4799 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 5.66743 10.066 7.67129 11.6846 7.60283 14.1714 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 7.42669 13.2287 7.96312 8.05284 7.60283 15.4799 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 7.42669 14.8458 7.67129 8.05284 7.60283 14.1714 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 5.31016 5.91275 9.18836 5.14132 6.73801 6.26099 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 6.23138 7.89444 9.23947 6.84612 9.32552 5.68492 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.18898 4.68995 6.15654 10.8544 6.72712 6.3678 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.18898 4.68995 6.15654 10.4617 5.39745 7.31722 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.27794 7.3536 4.86767 8.32999 9.83981 10.8755 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 8.27794 7.3536 4.86767 5.28095 6.13559 5.27861 numMergedOcc 0
12 mol 114 unq 2 iso 0 dist 8.27794 7.3536 4.86767 11.5542 6.51395 4.8628 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 6.66022 11.1994 8.12854 5.46352 5.60389 6.34223 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 7.6005 8.77017 8.03113 8.76048 7.35992 8.2258 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 7.6005 8.77017 8.03113 5.79458 6.49383 11.1305 numMergedOcc 0
16 mol 116 unq 2 iso 0 dist 7.6005 16.186 9.2638 8.76048 7.35992 10.3223 numMergedOcc 0
17 mol 116 unq 3 iso 0 dist 7.6005 16.186 9.2638 5.79458 6.49383 12.8624 numMergedOcc 0
18 mol 116 unq 4 iso 0 dist 8.7583 7.43615 8.03113 11.4263 7.35992 8.2258 numMergedOcc 0
19 mol 116 unq 5 iso 0 dist 8.7583 7.43615 8.03113 9.91115 6.49383 11.1305 numMergedOcc 0
20 mol 116 unq 6 iso 0 dist 8.7583 17.5453 9.2638 11.4263 7.35992 10.3223 numMergedOcc 0
21 mol 116 unq 7 iso 0 dist 8.7583 17.5453 9.2638 9.91115 6.49383 12.8624 numMergedOcc 0
22 mol 128 unq 0 iso 0 dist 6.03154 3.93522 7.61237 8.80709 6.98158 10.8984 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 5.49198 8.22726 7.50264 5.90631 6.93279 5.43722 numMergedOcc 0
24 mol 148 unq 0 iso 0 dist 9.80819 14.6035 7.46919 11.6995 9.73927 6.43817 numMergedOcc 0
25 mol 150 unq 0 iso 0 dist 9.81665 14.6751 7.36989 11.8035 9.66129 6.48058 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 9.51638 7.46995 9.31172 12.905 6.64779 8.94838 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 9.37017 9.44575 6.20426 14.7966 9.33696 9.12244 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 9.69704 13.127 9.29788 8.75798 9.58354 15.6651 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 9.69704 14.7487 9.50983 8.75798 9.58354 14.0411 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 9.21145 5.1526 8.30195 10.3447 7.48235 7.96744 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 6.60049 9.28841 8.67838 7.69175 5.7131 9.01459 numMergedOcc 0
