0 mol 18 unq 0 iso 0 dist 8.24798 5.3982 6.72533 4.49033 8.95294 9.13179 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02079 5.3982 8.29216 4.49033 7.19022 9.13179 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.6082 13.5196 8.89682 9.76176 6.76514 8.39998 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 9.24687 4.38241 8.89682 8.89775 6.76514 8.39998 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.34361 4.94741 6.10175 8.98505 8.41365 10.352 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 9.75733 5.84901 7.86678 7.89273 6.88394 6.56561 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.03472 8.39416 4.85152 14.1474 7.36397 6.12826 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.03472 8.39416 4.85152 12.8333 6.58062 5.02124 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.40274 10.4946 4.85152 15.6773 7.36397 6.12826 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 9.40274 10.4946 4.85152 14.5544 6.58062 5.02124 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 7.09617 6.9006 8.23566 11.0363 8.86001 5.17028 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 4.69926 9.75051 8.26291 4.9574 6.16039 12.2551 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.53875 16.3227 9.98097 8.66026 8.12409 9.3538 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.99964 12.0022 8.62543 4.24915 7.88787 9.47543 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.93144 5.67469 8.62543 4.20499 7.88787 9.47543 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 7.04782 4.66206 8.62543 6.39513 7.88787 9.47543 numMergedOcc 0
16 mol 211 unq 0 iso 0 dist 6.42375 4.20557 5.42004 5.51063 9.62163 5.81423 numMergedOcc 0
17 mol 211 unq 1 iso 0 dist 6.42375 4.20557 5.42004 5.80968 8.48297 7.45134 numMergedOcc 0
18 mol 211 unq 2 iso 0 dist 6.42375 7.9703 7.73993 5.51063 9.62163 11.7695 numMergedOcc 0
19 mol 211 unq 3 iso 0 dist 6.42375 7.9703 7.73993 5.80968 8.48297 9.96364 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.21479 8.47021 4.46314 6.17401 8.94854 10.5464 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.75001 9.0972 6.32593 11.9879 5.72415 5.1967 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 6.75599 4.27675 6.32593 5.98329 5.72415 5.1967 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.04647 5.88732 7.24089 6.93865 9.89613 4.05661 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.91992 8.78001 8.83777 4.29127 8.62043 10.0256 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 7.91992 4.54209 9.42812 4.29127 8.62043 8.46112 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 8.8643 6.17316 8.36655 10.2396 8.50767 11.5371 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 9.24895 7.88157 8.76889 6.13953 6.10834 7.28266 numMergedOcc 0
28 mol 279 unq 2 iso 0 dist 9.24895 8.60764 6.37469 6.13953 6.10834 5.191 numMergedOcc 0
29 mol 279 unq 3 iso 0 dist 8.34154 12.3885 8.76889 6.7711 6.10834 7.28266 numMergedOcc 0
30 mol 279 unq 4 iso 0 dist 8.34154 6.66489 6.37469 6.7711 6.10834 5.191 numMergedOcc 0
31 mol 279 unq 5 iso 0 dist 9.07176 12.3885 7.04397 6.7711 8.24233 7.28266 numMergedOcc 0
32 mol 279 unq 6 iso 0 dist 5.90456 12.8668 8.36655 6.7711 8.50767 11.5371 numMergedOcc 0
