0 mol 56 unq 0 iso 0 dist 7.96214 9.32273 15.1473 13.6612 9.06142 22.1923 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 7.96214 9.32273 15.1473 11.9413 8.41264 21.0745 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 9.77899 9.10105 5.55985 11.9395 7.51967 9.79696 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 9.77899 9.10105 5.55985 8.81994 6.04303 6.12267 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 9.77899 9.10105 5.55985 4.89257 7.15248 8.43162 numMergedOcc 0
5 mol 67 unq 3 iso 0 dist 9.10105 9.77899 5.55985 8.81994 6.12267 6.04303 numMergedOcc 0
6 mol 67 unq 4 iso 0 dist 9.10105 9.77899 5.55985 4.89257 8.43162 7.15248 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.52544 8.08674 10.0928 4.77004 5.73235 7.48127 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 7.52544 8.33694 9.19938 4.77004 5.73235 11.1162 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 8.08674 7.52544 10.0928 4.77004 7.48127 5.73235 numMergedOcc 0
10 mol 76 unq 3 iso 0 dist 8.08674 8.33694 10.5047 4.77004 7.48127 11.1162 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.80616 8.25015 16.4456 5.64342 8.57909 12.7251 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 6.17589 5.2929 7.12394 8.7758 9.41083 12.907 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 7.53333 7.64107 11.9236 5.2815 6.90966 11.4197 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 7.88328 5.33851 5.46468 7.4328 7.93793 10.0963 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 9.64006 9.66105 14.0751 17.9836 9.89039 23.6697 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 9.64006 9.66105 14.0751 4.47683 8.57174 11.4104 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.02319 9.86201 17.0154 6.67297 7.11741 10.8037 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 9.02319 9.86201 17.0154 7.49843 8.8113 11.2809 numMergedOcc 0
19 mol 245 unq 0 iso 0 dist 5.70624 6.58523 6.87629 4.95438 9.96585 10.9892 numMergedOcc 0
20 mol 245 unq 1 iso 0 dist 5.70624 6.58523 6.87629 5.42329 7.27022 11.5217 numMergedOcc 0
21 mol 245 unq 2 iso 0 dist 5.70624 6.58523 6.87629 12.1537 7.95061 14.4872 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 5.91549 8.22257 6.52591 8.1834 9.54511 14.856 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 8.78501 5.59641 8.19601 8.96584 9.39714 11.5802 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 9.01599 8.99843 5.54816 10.8455 9.50884 13.9636 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.60879 6.92271 11.3688 4.00063 6.66936 8.15119 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.92271 9.60879 11.3688 4.00063 8.15119 6.66936 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 9.83857 9.53816 7.20467 5.78711 6.58925 10.1906 numMergedOcc 0
