0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 11.071 6.20227 6.21879 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.99711 4.46001 7.25684 11.6375 6.6347 11.5235 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 5.99711 11.6572 8.22285 11.6375 6.6347 3.8646 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.74389 10.492 8.80104 5.52356 5.44028 6.29218 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 9.43699 10.1834 4.79413 6.05543 8.12551 9.7556 numMergedOcc 0
5 mol 74 unq 1 iso 0 dist 5.23115 3.94075 4.79413 10.8748 8.12551 9.7556 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.81334 5.72925 8.69209 12.0265 9.23985 9.08973 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 9.82548 15.3233 7.92876 15.1654 6.63857 4.81641 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.27951 9.70923 8.43028 13.2271 9.23243 4.07626 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 7.85653 6.63467 8.01587 3.66146 9.36023 10.1812 numMergedOcc 0
10 mol 140 unq 1 iso 0 dist 7.85653 6.63467 8.01587 12.5989 9.43159 14.6057 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 5.06687 11.6995 8.12589 3.78181 6.49708 12.0468 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 5.09809 11.8035 8.11592 3.72958 6.45018 12.1191 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 6.92225 5.49464 6.39981 5.9424 9.38045 6.39711 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 9.90625 8.34466 7.13269 4.44253 8.02691 7.15698 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 8.12896 4.06532 5.92747 6.31211 7.38157 4.22082 numMergedOcc 0
16 mol 163 unq 1 iso 0 dist 8.88092 5.93645 5.92747 4.09836 7.38157 4.22082 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.47107 11.5684 9.77862 9.86028 7.39369 8.35231 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 9.86462 6.34706 6.23898 10.27 6.45821 7.51787 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.28454 8.59036 7.29542 16.1823 9.18343 13.6736 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 8.12518 4.71182 9.20589 10.394 7.14633 8.85098 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 8.12518 4.71182 9.20589 12.4845 9.94302 13.7364 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 8.12518 7.51342 7.89801 10.394 7.14633 13.8875 numMergedOcc 0
23 mol 227 unq 3 iso 0 dist 8.12518 7.51342 7.89801 12.4845 9.94302 5.45009 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 8.44671 7.4874 8.33853 10.8851 7.35934 9.47269 numMergedOcc 0
25 mol 240 unq 1 iso 0 dist 8.44671 3.97303 5.66537 10.8851 7.35934 7.29448 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 5.22349 7.31906 6.57207 4.28835 6.5058 4.17197 numMergedOcc 0
27 mol 252 unq 1 iso 0 dist 9.81593 7.31906 5.2361 4.28835 6.77555 4.17197 numMergedOcc 0
28 mol 252 unq 2 iso 0 dist 9.81593 12.2338 5.57515 4.28835 6.77555 9.43565 numMergedOcc 0
29 mol 252 unq 3 iso 0 dist 9.81593 14.2535 8.28694 4.28835 6.77555 10.6687 numMergedOcc 0
30 mol 252 unq 4 iso 0 dist 9.78248 12.8039 5.2361 13.9287 6.77555 4.17197 numMergedOcc 0
31 mol 252 unq 5 iso 0 dist 9.78248 8.32839 5.57515 13.9287 6.77555 9.43565 numMergedOcc 0
32 mol 252 unq 6 iso 0 dist 9.78248 5.63228 8.28694 13.9287 6.77555 10.6687 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 9.49787 9.33248 9.51311 13.3222 9.96989 18.5505 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 9.49787 9.33248 9.51311 7.19353 4.57246 7.61474 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 8.62966 6.83359 6.45328 3.62419 9.75798 9.96708 numMergedOcc 0
