0 mol 24 unq 0 iso 0 dist 8.10063 6.09311 8.11143 6.50899 8.9776 7.83805 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.10063 6.50899 8.9776 6.09311 8.11143 7.83805 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 5.31968 3.82411 7.89306 4.28598 8.36697 4.43305 numMergedOcc 0
3 mol 33 unq 0 iso 1 dist 5.31968 4.28598 8.36697 3.82411 7.89306 4.43305 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.41313 5.21816 9.85386 8.82709 4.8983 11.6321 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.41313 8.82709 4.8983 5.21816 9.85386 11.6321 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 8.20415 11.6783 9.93747 9.48204 9.39265 4.5481 numMergedOcc 0
7 mol 78 unq 0 iso 1 dist 8.20415 9.48204 9.39265 11.6783 9.93747 4.5481 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.27877 3.81285 7.51319 6.17121 8.49887 2.58673 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 6.27877 6.17121 8.49887 3.81285 7.51319 2.58673 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 7.28273 3.50174 4.4077 3.98945 8.4874 5.83342 numMergedOcc 0
11 mol 129 unq 0 iso 1 dist 7.28273 3.98945 8.4874 3.50174 4.4077 5.83342 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.68406 6.8842 9.57243 6.46148 8.12558 13.315 numMergedOcc 0
13 mol 141 unq 0 iso 1 dist 5.68406 6.46148 8.12558 6.8842 9.57243 13.315 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 9.46329 5.05002 9.57243 12.4824 8.12558 13.315 numMergedOcc 0
15 mol 141 unq 1 iso 1 dist 9.46329 12.4824 8.12558 5.05002 9.57243 13.315 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.07461 9.37486 9.88912 3.38564 9.46218 12.6144 numMergedOcc 0
17 mol 162 unq 0 iso 1 dist 8.07461 3.38564 9.46218 9.37486 9.88912 12.6144 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 9.24242 3.71345 8.79752 8.25138 7.29985 8.45723 numMergedOcc 0
19 mol 176 unq 0 iso 1 dist 9.24242 8.25138 7.29985 3.71345 8.79752 8.45723 numMergedOcc 0
20 mol 176 unq 1 iso 0 dist 9.24242 3.71345 8.79752 7.10617 7.58281 5.3861 numMergedOcc 0
21 mol 176 unq 1 iso 1 dist 9.24242 7.10617 7.58281 3.71345 8.79752 5.3861 numMergedOcc 0
22 mol 176 unq 2 iso 0 dist 9.24242 3.71345 8.79752 10.5042 8.8756 8.21185 numMergedOcc 0
23 mol 176 unq 2 iso 1 dist 9.24242 10.5042 8.8756 3.71345 8.79752 8.21185 numMergedOcc 0
24 mol 176 unq 1 iso 0 dist 9.24242 8.25138 7.29985 7.10617 7.58281 4.47711 numMergedOcc 0
25 mol 176 unq 1 iso 1 dist 9.24242 7.10617 7.58281 8.25138 7.29985 4.47711 numMergedOcc 0
26 mol 176 unq 2 iso 0 dist 9.24242 8.25138 7.29985 10.5042 8.8756 6.34877 numMergedOcc 0
27 mol 176 unq 2 iso 1 dist 9.24242 10.5042 8.8756 8.25138 7.29985 6.34877 numMergedOcc 0
28 mol 176 unq 2 iso 0 dist 9.24242 7.10617 7.58281 10.5042 8.8756 3.47516 numMergedOcc 0
29 mol 176 unq 2 iso 1 dist 9.24242 10.5042 8.8756 7.10617 7.58281 3.47516 numMergedOcc 0
30 mol 176 unq 3 iso 0 dist 6.74185 11.1744 8.79752 3.52268 7.29985 8.45723 numMergedOcc 0
31 mol 176 unq 3 iso 1 dist 6.74185 3.52268 7.29985 11.1744 8.79752 8.45723 numMergedOcc 0
32 mol 176 unq 4 iso 0 dist 6.74185 11.1744 8.79752 7.39809 7.58281 5.3861 numMergedOcc 0
33 mol 176 unq 4 iso 1 dist 6.74185 7.39809 7.58281 11.1744 8.79752 5.3861 numMergedOcc 0
34 mol 176 unq 5 iso 0 dist 6.74185 11.1744 8.79752 8.44347 8.8756 8.21185 numMergedOcc 0
35 mol 176 unq 5 iso 1 dist 6.74185 8.44347 8.8756 11.1744 8.79752 8.21185 numMergedOcc 0
36 mol 176 unq 4 iso 0 dist 6.74185 3.52268 7.29985 7.39809 7.58281 4.47711 numMergedOcc 0
37 mol 176 unq 4 iso 1 dist 6.74185 7.39809 7.58281 3.52268 7.29985 4.47711 numMergedOcc 0
38 mol 176 unq 5 iso 0 dist 6.74185 3.52268 7.29985 8.44347 8.8756 6.34877 numMergedOcc 0
39 mol 176 unq 5 iso 1 dist 6.74185 8.44347 8.8756 3.52268 7.29985 6.34877 numMergedOcc 0
40 mol 176 unq 5 iso 0 dist 6.74185 7.39809 7.58281 8.44347 8.8756 3.47516 numMergedOcc 0
41 mol 176 unq 5 iso 1 dist 6.74185 8.44347 8.8756 7.39809 7.58281 3.47516 numMergedOcc 0
42 mol 192 unq 0 iso 0 dist 8.43359 9.77872 5.5223 8.01902 8.00501 4.98308 numMergedOcc 0
43 mol 192 unq 0 iso 1 dist 8.43359 8.01902 8.00501 9.77872 5.5223 4.98308 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 8.08479 9.42852 7.36137 9.63536 4.95415 3.00605 numMergedOcc 0
45 mol 266 unq 0 iso 1 dist 8.08479 9.63536 4.95415 9.42852 7.36137 3.00605 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 7.64715 8.64531 9.77996 5.37977 6.61308 4.64789 numMergedOcc 0
47 mol 287 unq 0 iso 1 dist 7.64715 5.37977 6.61308 8.64531 9.77996 4.64789 numMergedOcc 0
48 mol 287 unq 1 iso 0 dist 7.64715 8.64531 9.77996 4.53368 6.25845 11.3248 numMergedOcc 0
49 mol 287 unq 1 iso 1 dist 7.64715 4.53368 6.25845 8.64531 9.77996 11.3248 numMergedOcc 0
50 mol 287 unq 1 iso 0 dist 7.64715 5.37977 6.61308 4.53368 6.25845 6.88737 numMergedOcc 0
51 mol 287 unq 1 iso 1 dist 7.64715 4.53368 6.25845 5.37977 6.61308 6.88737 numMergedOcc 0
52 mol 287 unq 2 iso 0 dist 8.50508 14.5036 9.77996 10.4837 6.61308 4.64789 numMergedOcc 0
53 mol 287 unq 2 iso 1 dist 8.50508 10.4837 6.61308 14.5036 9.77996 4.64789 numMergedOcc 0
54 mol 287 unq 3 iso 0 dist 8.50508 14.5036 9.77996 4.12505 6.25845 11.3248 numMergedOcc 0
55 mol 287 unq 3 iso 1 dist 8.50508 4.12505 6.25845 14.5036 9.77996 11.3248 numMergedOcc 0
56 mol 287 unq 3 iso 0 dist 8.50508 10.4837 6.61308 4.12505 6.25845 6.88737 numMergedOcc 0
57 mol 287 unq 3 iso 1 dist 8.50508 4.12505 6.25845 10.4837 6.61308 6.88737 numMergedOcc 0
58 mol 288 unq 0 iso 0 dist 7.64715 8.64531 9.77996 5.37977 6.61308 4.64789 numMergedOcc 0
59 mol 288 unq 0 iso 1 dist 7.64715 5.37977 6.61308 8.64531 9.77996 4.64789 numMergedOcc 0
60 mol 288 unq 1 iso 0 dist 7.64715 8.64531 9.77996 4.53368 6.25845 11.3248 numMergedOcc 0
61 mol 288 unq 1 iso 1 dist 7.64715 4.53368 6.25845 8.64531 9.77996 11.3248 numMergedOcc 0
62 mol 288 unq 1 iso 0 dist 7.64715 5.37977 6.61308 4.53368 6.25845 6.88737 numMergedOcc 0
63 mol 288 unq 1 iso 1 dist 7.64715 4.53368 6.25845 5.37977 6.61308 6.88737 numMergedOcc 0
64 mol 288 unq 2 iso 0 dist 8.50508 14.5036 9.77996 10.4837 6.61308 4.64789 numMergedOcc 0
65 mol 288 unq 2 iso 1 dist 8.50508 10.4837 6.61308 14.5036 9.77996 4.64789 numMergedOcc 0
66 mol 288 unq 3 iso 0 dist 8.50508 14.5036 9.77996 4.12505 6.25845 11.3248 numMergedOcc 0
67 mol 288 unq 3 iso 1 dist 8.50508 4.12505 6.25845 14.5036 9.77996 11.3248 numMergedOcc 0
68 mol 288 unq 3 iso 0 dist 8.50508 10.4837 6.61308 4.12505 6.25845 6.88737 numMergedOcc 0
69 mol 288 unq 3 iso 1 dist 8.50508 4.12505 6.25845 10.4837 6.61308 6.88737 numMergedOcc 0
70 mol 289 unq 0 iso 0 dist 7.64715 8.64531 9.77996 5.37977 6.61308 4.64789 numMergedOcc 0
71 mol 289 unq 0 iso 1 dist 7.64715 5.37977 6.61308 8.64531 9.77996 4.64789 numMergedOcc 0
72 mol 289 unq 1 iso 0 dist 7.64715 8.64531 9.77996 4.53368 6.25845 11.3248 numMergedOcc 0
73 mol 289 unq 1 iso 1 dist 7.64715 4.53368 6.25845 8.64531 9.77996 11.3248 numMergedOcc 0
74 mol 289 unq 1 iso 0 dist 7.64715 5.37977 6.61308 4.53368 6.25845 6.88737 numMergedOcc 0
75 mol 289 unq 1 iso 1 dist 7.64715 4.53368 6.25845 5.37977 6.61308 6.88737 numMergedOcc 0
76 mol 289 unq 2 iso 0 dist 8.50508 14.5036 9.77996 10.4837 6.61308 4.64789 numMergedOcc 0
77 mol 289 unq 2 iso 1 dist 8.50508 10.4837 6.61308 14.5036 9.77996 4.64789 numMergedOcc 0
78 mol 289 unq 3 iso 0 dist 8.50508 14.5036 9.77996 4.12505 6.25845 11.3248 numMergedOcc 0
79 mol 289 unq 3 iso 1 dist 8.50508 4.12505 6.25845 14.5036 9.77996 11.3248 numMergedOcc 0
80 mol 289 unq 3 iso 0 dist 8.50508 10.4837 6.61308 4.12505 6.25845 6.88737 numMergedOcc 0
81 mol 289 unq 3 iso 1 dist 8.50508 4.12505 6.25845 10.4837 6.61308 6.88737 numMergedOcc 0
