0 mol 19 unq 0 iso 0 dist 4.51865 7.7312 4.44441 4.13497 6.10339 8.96634 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.864 7.7312 10.0411 4.13497 10.8897 8.96634 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.54419 8.23075 6.7846 7.6222 8.80127 7.18124 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.54419 8.23075 6.7846 14.8593 10.7243 8.10168 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.54419 4.7841 8.03955 7.6222 8.80127 6.47026 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.95999 8.30217 9.65136 5.43926 12.2326 6.10199 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.95579 9.01812 8.37717 6.62562 8.81824 7.67463 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.75408 6.42623 5.6295 4.98499 12.259 9.43682 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.75408 8.95899 8.97962 4.98499 12.259 8.0564 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 6.44653 6.42623 3.824 4.98499 8.1671 9.43682 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 6.44653 8.95899 4.96885 4.98499 8.1671 8.0564 numMergedOcc 0
11 mol 120 unq 4 iso 0 dist 6.44653 7.53694 5.61274 10.885 14.1962 9.8098 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 5.87555 7.59457 4.73288 14.4437 13.9586 9.981 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 5.87555 7.59457 4.73288 8.18329 8.86966 7.78215 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 8.87437 7.59457 4.70284 14.4437 14.1959 9.981 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 8.87437 7.59457 4.70284 8.18329 5.7527 7.78215 numMergedOcc 0
16 mol 152 unq 4 iso 0 dist 8.56324 9.00072 12.2243 17.8807 21.5386 9.981 numMergedOcc 0
17 mol 152 unq 5 iso 0 dist 8.56324 9.00072 12.2243 5.97115 13.4958 7.78215 numMergedOcc 0
18 mol 152 unq 6 iso 0 dist 6.70283 9.00072 4.73288 17.8807 13.9586 9.981 numMergedOcc 0
19 mol 152 unq 7 iso 0 dist 6.70283 9.00072 4.73288 5.97115 8.86966 7.78215 numMergedOcc 0
20 mol 152 unq 8 iso 0 dist 7.16148 9.00072 4.70284 17.8807 14.1959 9.981 numMergedOcc 0
21 mol 152 unq 9 iso 0 dist 7.16148 9.00072 4.70284 5.97115 5.7527 7.78215 numMergedOcc 0
22 mol 152 unq 10 iso 0 dist 8.67331 7.55419 4.73288 13.3193 13.9586 9.981 numMergedOcc 0
23 mol 152 unq 11 iso 0 dist 8.67331 7.55419 4.73288 4.36394 8.86966 7.78215 numMergedOcc 0
24 mol 152 unq 12 iso 0 dist 8.05741 7.55419 4.70284 13.3193 14.1959 9.981 numMergedOcc 0
25 mol 152 unq 13 iso 0 dist 8.05741 7.55419 4.70284 4.36394 5.7527 7.78215 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 9.87651 5.36671 12.8624 8.09332 16.2246 7.33178 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 6.69288 4.72821 4.69387 4.43082 8.4173 6.53017 numMergedOcc 0
28 mol 178 unq 1 iso 0 dist 6.43573 4.72821 3.70233 4.43082 9.70181 6.53017 numMergedOcc 0
29 mol 178 unq 2 iso 0 dist 7.17202 4.72821 7.39705 4.43082 6.55543 6.53017 numMergedOcc 0
30 mol 178 unq 3 iso 0 dist 8.81551 4.72821 9.77268 4.43082 10.2965 6.53017 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 8.01589 5.1609 6.91863 8.6493 11.9662 8.47836 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 7.7699 5.1609 8.26703 8.6493 15.6298 8.47836 numMergedOcc 0
33 mol 222 unq 2 iso 0 dist 7.21333 5.1609 8.89157 8.6493 14.0597 8.47836 numMergedOcc 0
34 mol 231 unq 0 iso 0 dist 7.37839 7.3268 6.63423 6.58152 7.31553 5.45266 numMergedOcc 0
35 mol 231 unq 1 iso 0 dist 7.37839 7.3268 6.63423 9.72658 13.4744 9.02803 numMergedOcc 0
36 mol 231 unq 2 iso 0 dist 8.40182 7.3268 10.3815 6.58152 10.1674 5.45266 numMergedOcc 0
37 mol 231 unq 3 iso 0 dist 8.40182 7.3268 10.3815 9.72658 16.2239 9.02803 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 6.73034 8.94786 8.57513 7.05009 12.1327 9.01486 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 6.97229 5.4557 4.02333 9.31785 11.4744 7.59138 numMergedOcc 0
