0 mol 7 unq 0 iso 0 dist 9.26914 5.47645 9.8603 12.1468 7.10621 14.6665 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 6.97123 5.33982 9.22002 7.20068 6.65721 6.16737 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 9.532 5.33982 7.52103 7.20068 6.72123 6.16737 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 9.532 11.6086 8.46556 7.20068 6.72123 4.90701 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 6.89004 6.02891 9.72689 11.5995 9.36773 13.7794 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 6.89004 11.5666 7.74197 11.5995 9.36773 4.0486 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 5.8729 14.1026 8.3164 9.80725 8.69985 11.5656 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 5.94669 7.56329 6.78949 5.89212 8.37808 7.54208 numMergedOcc 0
8 mol 122 unq 1 iso 0 dist 5.94669 5.85988 9.40018 5.89212 8.37808 11.0216 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.65519 13.6908 7.81337 4.88092 6.85062 11.4498 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.70271 9.61802 9.50322 10.8963 7.11802 5.37072 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 6.2109 9.61802 5.82404 11.6923 6.29155 10.2385 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 6.2109 9.61802 5.82404 12.4997 6.80239 4.64588 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 6.2109 9.61802 5.82404 10.8963 8.00618 5.37072 numMergedOcc 0
14 mol 180 unq 0 iso 0 dist 8.31244 11.9704 9.88732 6.84196 9.62337 6.54937 numMergedOcc 0
15 mol 180 unq 1 iso 0 dist 8.31244 9.95699 5.77949 6.84196 9.62337 6.91082 numMergedOcc 0
16 mol 180 unq 2 iso 0 dist 8.31244 13.9403 8.68403 6.84196 9.62337 10.1423 numMergedOcc 0
17 mol 180 unq 3 iso 0 dist 8.31244 6.49321 5.80441 6.84196 9.62337 9.82186 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 8.95053 5.41712 6.87731 7.87147 9.62191 4.59462 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.40983 6.67855 5.96555 8.48013 6.03031 4.6995 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 6.40983 6.67855 5.96555 9.6739 7.26832 10.7091 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 6.40983 6.67855 5.96555 11.3983 7.80463 5.87892 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 6.78537 12.6833 9.36079 9.45246 7.7366 13.6173 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 6.78537 10.855 7.42904 9.45246 7.7366 9.96254 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 7.08106 8.87587 8.62103 5.42209 6.18308 3.84723 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 6.7946 11.2358 9.2053 6.32915 5.81334 6.51315 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 7.84754 7.80173 5.89502 14.7198 9.02271 9.25001 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 7.84754 13.6584 7.15815 14.7198 9.02271 4.93871 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 6.71362 5.08947 5.89502 9.60213 9.02271 9.25001 numMergedOcc 0
29 mol 253 unq 3 iso 0 dist 6.71362 9.85961 7.15815 9.60213 9.02271 4.93871 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.07855 10.6732 9.54857 15.5856 7.46176 15.3806 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 7.51284 11.3993 8.19504 11.5015 6.24356 3.93713 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 5.99069 11.0176 8.43858 5.68295 9.361 10.2215 numMergedOcc 0
33 mol 264 unq 2 iso 0 dist 5.99069 11.0176 8.43858 6.99623 6.24356 8.55312 numMergedOcc 0
34 mol 265 unq 0 iso 0 dist 7.27446 4.50567 9.772 8.07916 8.4218 5.75478 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 9.32985 16.0036 9.96394 7.59176 8.33638 11.5918 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 8.61945 16.0735 9.29635 9.21781 9.7748 10.8075 numMergedOcc 0
