0 mol 8 unq 0 iso 0 dist 7.46102 9.91301 8.4069 8.25051 8.96553 9.62879 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.91301 7.46102 8.4069 8.25051 9.62879 8.96553 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.87281 7.63928 4.51512 6.17631 7.31767 6.03987 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 7.63928 9.87281 4.51512 6.17631 6.03987 7.31767 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 5.40367 6.62496 6.35756 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 4.88613 6.36193 4.81926 5.40367 6.35756 6.62496 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.22002 7.52103 6.86346 6.16737 6.65721 6.72123 numMergedOcc 0
7 mol 61 unq 0 iso 1 dist 7.52103 9.22002 6.86346 6.16737 6.72123 6.65721 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 7.74197 7.86537 5.57085 4.0486 9.36773 8.31336 numMergedOcc 0
9 mol 88 unq 0 iso 1 dist 7.86537 7.74197 5.57085 4.0486 8.31336 9.36773 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.50322 5.82404 8.18495 5.37072 7.11802 8.00618 numMergedOcc 0
11 mol 133 unq 0 iso 1 dist 5.82404 9.50322 8.18495 5.37072 8.00618 7.11802 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 10.5108 8.94367 6.37586 numMergedOcc 0
13 mol 134 unq 0 iso 1 dist 9.60411 9.92932 5.49782 10.5108 6.37586 8.94367 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 9.92932 9.60411 5.49782 6.20443 9.86662 9.71307 numMergedOcc 0
15 mol 134 unq 1 iso 1 dist 9.60411 9.92932 5.49782 6.20443 9.71307 9.86662 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 8.39002 8.46129 5.0744 5.72088 6.57273 6.60589 numMergedOcc 0
17 mol 224 unq 0 iso 1 dist 8.46129 8.39002 5.0744 5.72088 6.60589 6.57273 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.39002 8.46129 5.0744 6.51315 5.78342 9.16166 numMergedOcc 0
19 mol 224 unq 1 iso 1 dist 8.46129 8.39002 5.0744 6.51315 9.16166 5.78342 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 8.39002 9.2053 5.60236 6.51315 5.78342 5.81334 numMergedOcc 0
21 mol 224 unq 2 iso 1 dist 9.2053 8.39002 5.60236 6.51315 5.81334 5.78342 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 8.46129 9.2053 6.91102 6.51315 9.16166 5.81334 numMergedOcc 0
23 mol 224 unq 2 iso 1 dist 9.2053 8.46129 6.91102 6.51315 5.81334 9.16166 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 9.89665 9.05929 14.7998 4.38595 6.84306 8.35971 numMergedOcc 0
25 mol 236 unq 0 iso 1 dist 9.05929 9.89665 14.7998 4.38595 8.35971 6.84306 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 8.65236 9.73983 7.00201 4.49913 9.14619 8.45658 numMergedOcc 0
27 mol 261 unq 0 iso 1 dist 9.73983 8.65236 7.00201 4.49913 8.45658 9.14619 numMergedOcc 0
