0 mol 61 unq 0 iso 0 dist 9.67403 4.90701 9.62468 17.1697 9.32664 15.5028 11.0903 6.91052 8.76003 12.6715 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 7.28917 16.7918 9.62468 10.4547 9.32664 15.5028 12.8924 6.91052 8.76003 12.6715 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.93688 4.71849 9.514 11.6798 7.2131 8.55834 7.57958 5.02124 5.81965 7.1539 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.93688 4.71849 9.514 12.656 7.44343 9.50382 7.57958 5.02124 5.81965 5.39745 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 9.93688 4.32564 7.84888 11.6798 7.2131 8.51055 7.57958 5.02124 7.06013 7.1539 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 9.93688 4.32564 7.84888 12.656 7.44343 11.3858 7.57958 5.02124 7.06013 5.39745 numMergedOcc 0
6 mol 92 unq 4 iso 0 dist 9.88184 9.24395 9.514 11.0631 7.2131 8.55834 10.8442 5.02124 5.81965 7.1539 numMergedOcc 0
7 mol 92 unq 5 iso 0 dist 9.88184 9.24395 9.514 14.9487 7.44343 9.50382 10.8442 5.02124 5.81965 5.39745 numMergedOcc 0
8 mol 92 unq 6 iso 0 dist 9.88184 4.33359 7.84888 11.0631 7.2131 8.51055 10.8442 5.02124 7.06013 7.1539 numMergedOcc 0
9 mol 92 unq 7 iso 0 dist 9.88184 4.33359 7.84888 14.9487 7.44343 11.3858 10.8442 5.02124 7.06013 5.39745 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.52125 5.89399 6.78459 12.9454 9.95103 7.16919 7.90328 7.59628 4.76815 7.09065 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 8.88979 6.09267 8.40046 10.0555 8.70738 12.7065 13.8194 7.34983 9.81878 13.5563 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.46716 9.79072 9.61081 6.3462 5.75595 10.0059 9.9492 6.50232 7.31468 6.46089 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 5.46716 5.80488 5.46922 6.3462 5.75595 8.57817 9.9492 6.50232 7.7056 6.46089 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 6.00651 6.91778 9.18866 7.38323 5.08863 8.93262 11.9074 12.8257 8.33261 15.2392 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 6.14732 10.9746 9.18675 4.21811 8.61546 10.8138 8.82471 6.07589 5.86443 10.9439 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 6.14732 10.9746 9.18675 4.21811 8.61546 10.8138 14.279 9.95811 7.22914 15.9093 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 6.14732 10.9746 9.18675 11.032 7.17024 9.98177 8.82471 6.07589 5.86443 10.7799 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 6.14732 10.9746 9.18675 11.032 7.17024 9.98177 14.279 9.95811 7.22914 12.0619 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.98006 9.79538 9.58006 5.61261 9.69025 8.81835 13.1236 15.1483 7.48005 8.71497 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 8.14634 4.56913 8.66451 5.15747 9.02661 6.70925 8.62431 7.47324 6.50589 11.838 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 6.83278 13.5373 9.82774 4.74121 8.20933 14.3412 10.7618 4.8589 6.35287 12.2665 numMergedOcc 0
