0 mol 5 unq 0 iso 0 dist 8.81964 3.9731 8.49537 9.94131 9.85529 11.966 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 8.81964 9.94131 9.85529 3.9731 8.49537 11.966 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.87633 6.73192 8.51428 5.83388 9.28621 8.67111 numMergedOcc 0
3 mol 28 unq 0 iso 1 dist 5.87633 5.83388 9.28621 6.73192 8.51428 8.67111 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 8.48456 5.61871 5.42412 7.3517 8.09862 3.70336 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 8.48456 7.3517 8.09862 5.61871 5.42412 3.70336 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 8.48456 5.61871 5.42412 6.13016 8.89114 5.1533 numMergedOcc 0
7 mol 28 unq 2 iso 1 dist 8.48456 6.13016 8.89114 5.61871 5.42412 5.1533 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 8.48456 7.3517 8.09862 6.13016 8.89114 3.0988 numMergedOcc 0
9 mol 28 unq 2 iso 1 dist 8.48456 6.13016 8.89114 7.3517 8.09862 3.0988 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 7.24073 6.51048 8.97167 4.18951 8.8182 3.0988 numMergedOcc 0
11 mol 28 unq 3 iso 1 dist 7.24073 4.18951 8.8182 6.51048 8.97167 3.0988 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 9.79657 10.6247 8.52681 7.07594 9.98769 4.78728 numMergedOcc 0
13 mol 48 unq 0 iso 1 dist 9.79657 7.07594 9.98769 10.6247 8.52681 4.78728 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.85356 8.50831 5.88827 14.8359 9.66175 8.86418 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 6.85356 14.8359 9.66175 8.50831 5.88827 8.86418 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 7.32265 10.3098 5.88827 6.35914 9.66175 8.86418 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 7.32265 6.35914 9.66175 10.3098 5.88827 8.86418 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 9.61 6.68581 6.42361 4.60169 7.4121 3.00464 numMergedOcc 0
19 mol 147 unq 0 iso 1 dist 9.61 4.60169 7.4121 6.68581 6.42361 3.00464 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 8.95432 5.70473 7.76952 17.2865 9.98554 17.1307 numMergedOcc 0
21 mol 158 unq 0 iso 1 dist 8.95432 17.2865 9.98554 5.70473 7.76952 17.1307 numMergedOcc 0
22 mol 193 unq 0 iso 0 dist 7.71716 3.72752 9.50113 11.2707 9.73679 14.6395 numMergedOcc 0
23 mol 193 unq 0 iso 1 dist 7.71716 11.2707 9.73679 3.72752 9.50113 14.6395 numMergedOcc 0
24 mol 193 unq 1 iso 0 dist 8.71993 16.1667 9.50113 4.40965 9.73679 14.6395 numMergedOcc 0
25 mol 193 unq 1 iso 1 dist 8.71993 4.40965 9.73679 16.1667 9.50113 14.6395 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.02053 6.20494 4.93303 8.39697 9.95859 13.0936 numMergedOcc 0
27 mol 205 unq 0 iso 1 dist 6.02053 8.39697 9.95859 6.20494 4.93303 13.0936 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 7.41663 5.10421 4.93303 12.776 9.95859 13.0936 numMergedOcc 0
29 mol 205 unq 1 iso 1 dist 7.41663 12.776 9.95859 5.10421 4.93303 13.0936 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 6.2667 7.17774 9.45199 5.2958 9.07512 11.6206 numMergedOcc 0
31 mol 244 unq 0 iso 1 dist 6.2667 5.2958 9.07512 7.17774 9.45199 11.6206 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.44356 10.2357 7.82157 5.27788 8.39976 13.001 numMergedOcc 0
33 mol 287 unq 0 iso 1 dist 8.44356 5.27788 8.39976 10.2357 7.82157 13.001 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 8.44356 10.2357 7.82157 5.27788 8.39976 13.001 numMergedOcc 0
35 mol 288 unq 0 iso 1 dist 8.44356 5.27788 8.39976 10.2357 7.82157 13.001 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 8.44356 10.2357 7.82157 5.27788 8.39976 13.001 numMergedOcc 0
37 mol 289 unq 0 iso 1 dist 8.44356 5.27788 8.39976 10.2357 7.82157 13.001 numMergedOcc 0
