0 mol 24 unq 0 iso 0 dist 4.87192 7.18124 4.21283 3.4435 4.90592 7.85986 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 4.87192 6.47026 4.97191 9.4199 8.78859 7.03544 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 4.87192 6.47026 4.97191 3.4435 4.90592 4.30252 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.01135 7.90364 5.15398 5.68596 7.59316 6.28603 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.20384 7.78518 5.15603 5.69576 7.51285 5.73454 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.3576 6.28905 3.91174 10.4286 6.99108 9.09425 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.00564 9.43843 14.3481 4.58085 8.70863 6.46549 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 6.63857 6.34004 4.26808 3.67964 10.151 9.72371 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.97819 8.46167 14.091 8.69658 9.84516 7.40338 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 8.97819 8.46167 14.091 11.1416 12.7053 6.23759 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.34503 9.8911 4.9293 5.06665 5.39061 7.84546 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 5.70499 7.02043 4.9293 7.7998 5.39061 7.84546 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.88404 8.56285 14.1697 8.90481 10.8163 9.59109 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 6.00293 9.67872 5.21512 8.06906 7.14263 5.67088 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 6.00293 9.67872 5.21512 11.3156 11.0559 9.61332 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 5.96238 8.42716 6.72925 9.6084 9.90954 5.59832 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.96238 8.42716 6.72925 3.5693 5.95375 9.17562 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 8.24405 9.66947 7.1653 6.29383 5.95375 6.81516 numMergedOcc 0
18 mol 205 unq 3 iso 0 dist 8.24405 5.69652 6.72925 8.16279 9.90954 5.59832 numMergedOcc 0
19 mol 205 unq 4 iso 0 dist 8.24405 5.69652 6.72925 6.29383 5.95375 9.17562 numMergedOcc 0
20 mol 205 unq 5 iso 0 dist 7.85966 8.42716 10.2944 9.6084 11.2584 5.59832 numMergedOcc 0
21 mol 205 unq 6 iso 0 dist 7.85966 8.42716 10.2944 3.5693 9.17946 9.17562 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 9.96989 5.3772 5.85068 3.63667 13.3359 8.31526 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 9.96989 7.59138 12.3165 3.63667 13.3359 7.08328 numMergedOcc 0
24 mol 258 unq 2 iso 0 dist 4.57246 8.70007 5.85068 15.2842 13.3359 8.31526 numMergedOcc 0
25 mol 268 unq 0 iso 0 dist 4.89865 8.00345 5.68496 10.1411 10.524 9.6128 numMergedOcc 0
