0 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 10.4413 6.20293 8.13395 12.9096 14.0634 9.89546 14.792 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 5.5249 8.80331 8.13395 12.6245 6.09486 9.07906 14.1869 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.90024 13.9129 8.80331 5.84171 6.20293 8.13395 19.3401 14.0634 9.89546 14.792 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.90024 5.84171 6.20293 13.9129 8.80331 8.13395 8.07389 6.09486 9.07906 14.1869 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.48831 13.0773 9.96708 10.5933 9.78528 8.24309 16.0521 11.8198 4.69674 10.2718 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 13.0232 6.19965 5.42586 7.82214 5.46695 8.77199 8.81824 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 7.82214 5.46695 8.81824 8.77199 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 5.06555 5.61914 6.44653 7.75534 8.75408 5.23036 6.21509 4.98499 8.1671 12.259 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.00172 15.719 6.80239 13.2145 6.29155 7.81217 9.82869 5.58281 8.75049 10.6168 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.00172 15.719 6.80239 14.0905 8.00618 7.79672 9.82869 5.58281 8.75049 10.6275 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 5.65129 8.56324 7.65448 12.5281 5.97115 8.86966 13.4958 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 10.7929 7.16148 5.49936 12.5281 5.97115 8.86966 5.7527 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 8.34839 10.7929 7.16148 5.65129 8.56324 10.6875 12.5281 5.97115 5.7527 13.4958 numMergedOcc 0
13 mol 152 unq 3 iso 0 dist 8.34839 10.7929 7.16148 10.5295 6.70283 5.49936 12.5281 5.97115 5.7527 8.86966 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 13.0519 6.43573 5.34677 9.89989 4.43082 8.4173 9.70181 numMergedOcc 0
15 mol 178 unq 1 iso 0 dist 8.04723 14.4072 6.69288 10.5681 7.17202 11.7381 9.89989 4.43082 8.4173 6.55543 numMergedOcc 0
16 mol 178 unq 2 iso 0 dist 8.04723 14.4072 6.69288 9.1499 8.81551 14.0703 9.89989 4.43082 8.4173 10.2965 numMergedOcc 0
17 mol 178 unq 3 iso 0 dist 8.04723 10.5681 7.17202 14.4072 6.69288 11.7381 9.89989 4.43082 6.55543 8.4173 numMergedOcc 0
18 mol 178 unq 4 iso 0 dist 8.04723 10.5681 7.17202 13.0519 6.43573 9.89739 9.89989 4.43082 6.55543 9.70181 numMergedOcc 0
19 mol 178 unq 5 iso 0 dist 8.04723 10.5681 7.17202 9.1499 8.81551 5.18005 9.89989 4.43082 6.55543 10.2965 numMergedOcc 0
20 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 7.6832 8.40182 4.06055 10.2768 6.58152 7.31553 10.1674 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 6.17985 6.02958 8.33025 6.79111 8.1148 6.0987 12.3601 12.9824 6.38733 10.5963 numMergedOcc 0
22 mol 252 unq 1 iso 0 dist 6.17985 6.02958 8.33025 6.79111 8.1148 6.0987 15.339 15.2956 9.64349 14.1962 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 9.80409 4.63237 9.14619 6.39263 8.45658 7.00201 9.00616 15.4874 9.00426 14.9571 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 9.80409 4.63237 9.14619 6.39263 8.45658 7.00201 6.35699 13.3429 8.19348 12.6716 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 4.72487 9.361 10.3202 17.8035 14.5632 8.48407 15.0114 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 5.28781 9.361 10.3202 11.1348 14.5632 8.48407 15.0114 numMergedOcc 0
