0 mol 20 unq 0 iso 0 dist 9.78431 7.58687 4.36087 5.14626 7.09639 3.39356 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.78431 5.14626 7.09639 7.58687 4.36087 3.39356 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 5.65006 5.5308 5.45099 10.5881 8.44765 6.98219 numMergedOcc 0
3 mol 76 unq 0 iso 1 dist 5.65006 10.5881 8.44765 5.5308 5.45099 6.98219 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 5.65006 5.5308 5.45099 9.74852 9.06643 8.74837 numMergedOcc 0
5 mol 76 unq 1 iso 1 dist 5.65006 9.74852 9.06643 5.5308 5.45099 8.74837 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.65006 10.5881 8.44765 9.74852 9.06643 4.82479 numMergedOcc 0
7 mol 76 unq 1 iso 1 dist 5.65006 9.74852 9.06643 10.5881 8.44765 4.82479 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.17687 3.37256 9.54696 6.27386 4.62636 7.64831 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 8.17687 6.27386 4.62636 3.37256 9.54696 7.64831 numMergedOcc 0
10 mol 107 unq 0 iso 0 dist 8.2411 10.9097 7.91251 4.34186 9.09262 13.5807 numMergedOcc 0
11 mol 107 unq 0 iso 1 dist 8.2411 4.34186 9.09262 10.9097 7.91251 13.5807 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 6.53198 5.23075 4.30875 5.43595 8.65807 9.78508 numMergedOcc 0
13 mol 113 unq 0 iso 1 dist 6.53198 5.43595 8.65807 5.23075 4.30875 9.78508 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.31404 10.2525 5.95801 14.7938 9.92715 10.7858 numMergedOcc 0
15 mol 141 unq 0 iso 1 dist 6.31404 14.7938 9.92715 10.2525 5.95801 10.7858 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 8.65328 4.18108 7.0961 3.6038 8.26768 5.29906 numMergedOcc 0
17 mol 168 unq 0 iso 1 dist 8.65328 3.6038 8.26768 4.18108 7.0961 5.29906 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 6.4644 5.05368 4.11374 5.49042 8.37602 9.48187 numMergedOcc 0
19 mol 169 unq 0 iso 1 dist 6.4644 5.49042 8.37602 5.05368 4.11374 9.48187 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 5.87263 6.5732 7.65903 4.14139 5.97653 5.23644 numMergedOcc 0
21 mol 169 unq 1 iso 1 dist 5.87263 4.14139 5.97653 6.5732 7.65903 5.23644 numMergedOcc 0
22 mol 169 unq 2 iso 0 dist 5.87263 6.5732 7.65903 7.73206 7.75523 7.52063 numMergedOcc 0
23 mol 169 unq 2 iso 1 dist 5.87263 7.73206 7.75523 6.5732 7.65903 7.52063 numMergedOcc 0
24 mol 169 unq 2 iso 0 dist 5.87263 4.14139 5.97653 7.73206 7.75523 3.74306 numMergedOcc 0
25 mol 169 unq 2 iso 1 dist 5.87263 7.73206 7.75523 4.14139 5.97653 3.74306 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 5.09756 6.14958 9.17458 5.87342 7.36794 3.09727 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 5.09756 5.87342 7.36794 6.14958 9.17458 3.09727 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 7.44523 6.14958 6.94594 5.87342 5.81881 3.09727 numMergedOcc 0
29 mol 186 unq 1 iso 1 dist 7.44523 5.87342 5.81881 6.14958 6.94594 3.09727 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 9.06892 7.61394 9.79673 8.54017 6.39673 7.78447 numMergedOcc 0
31 mol 222 unq 0 iso 1 dist 9.06892 8.54017 6.39673 7.61394 9.79673 7.78447 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.61768 7.98379 7.72861 4.58167 8.20376 11.938 numMergedOcc 0
33 mol 266 unq 0 iso 1 dist 6.61768 4.58167 8.20376 7.98379 7.72861 11.938 numMergedOcc 0
