0 mol 1 unq 0 iso 0 dist 9.40282 4.61559 6.4181 7.48521 6.86701 5.06184 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 10.4548 5.99459 4.7739 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 4.93826 8.40051 4.54526 4.79873 6.29702 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.94828 4.93826 8.40051 16.0229 9.48085 13.591 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.81637 9.37897 6.36193 6.69301 9.22598 4.99692 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.27156 8.33049 8.1599 7.751 6.9103 5.46563 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.27307 5.10938 5.47319 5.29207 5.99857 4.69809 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 6.92837 5.10938 9.8809 5.29207 6.9362 4.69809 numMergedOcc 0
8 mol 74 unq 0 iso 0 dist 9.32783 5.6967 9.99155 4.4368 7.93281 8.14688 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 7.53887 7.07971 8.08642 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.43255 13.5611 8.3164 7.83378 7.07971 8.08642 numMergedOcc 0
11 mol 109 unq 2 iso 0 dist 7.4389 13.6781 8.3164 10.405 7.07971 8.08642 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.42474 6.92638 7.53905 4.9759 9.05166 3.61827 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 7.42474 6.92638 7.53905 6.59976 5.56994 3.78964 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 12.3287 6.00603 12.4857 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 8.47907 11.2519 6.78949 12.3287 6.00603 4.78332 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.00172 13.3005 5.82404 7.44092 8.77023 11.5628 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.84656 18.3189 9.60411 14.2595 9.33924 11.6349 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.84656 18.3189 9.60411 15.9796 7.93372 3.76211 numMergedOcc 0
19 mol 139 unq 0 iso 0 dist 5.11962 4.71927 6.34417 5.21231 5.80789 4.37138 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 7.34207 9.95968 6.23399 13.1744 8.33439 5.18463 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.09874 14.0799 9.58911 5.43915 8.59874 17.3349 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.52413 16.5529 8.03995 6.21482 7.2793 11.8169 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.52413 16.5529 8.03995 6.47581 9.51091 14.1849 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 9.52413 16.5529 8.03995 16.7739 7.85184 3.85767 numMergedOcc 0
25 mol 195 unq 0 iso 0 dist 7.39185 5.39526 7.63036 4.31898 7.41662 3.58901 numMergedOcc 0
26 mol 195 unq 1 iso 0 dist 4.78641 8.94388 7.63036 8.15463 7.41662 3.58901 numMergedOcc 0
27 mol 197 unq 0 iso 0 dist 6.18446 10.0696 8.3337 9.66766 9.10817 17.2264 numMergedOcc 0
28 mol 197 unq 1 iso 0 dist 6.18446 10.0696 8.3337 7.69814 9.73548 5.5875 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 9.79816 16.0359 7.73315 15.4347 7.33709 3.5359 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 8.85887 10.1159 6.83408 12.6528 9.58916 3.63202 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 7.151 12.4082 9.77689 10.3171 9.57499 17.8399 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 7.151 7.47195 8.51931 10.3171 9.57499 6.17642 numMergedOcc 0
33 mol 277 unq 2 iso 0 dist 8.53324 7.47195 8.96343 10.3171 5.46926 6.17642 numMergedOcc 0
34 mol 277 unq 3 iso 0 dist 8.53324 7.47195 8.96343 10.6814 5.13913 8.24206 numMergedOcc 0
35 mol 277 unq 4 iso 0 dist 7.23956 12.7088 9.29635 8.60807 9.35539 12.7269 numMergedOcc 0
36 mol 277 unq 5 iso 0 dist 7.23956 12.7088 9.29635 10.3171 8.9682 12.2421 numMergedOcc 0
37 mol 277 unq 6 iso 0 dist 7.23956 12.7088 9.29635 10.6814 6.92711 10.9521 numMergedOcc 0
38 mol 277 unq 7 iso 0 dist 8.33977 14.7999 9.77689 5.04761 9.57499 17.8399 numMergedOcc 0
39 mol 277 unq 8 iso 0 dist 8.33977 5.65499 8.51931 5.04761 9.57499 6.17642 numMergedOcc 0
40 mol 277 unq 9 iso 0 dist 8.66941 5.65499 8.96343 5.04761 5.46926 6.17642 numMergedOcc 0
41 mol 277 unq 10 iso 0 dist 8.66941 5.65499 8.96343 8.42957 5.13913 8.24206 numMergedOcc 0
