0 mol 1 unq 0 iso 0 dist 9.40282 9.35554 13.3466 4.61559 6.4181 12.2079 7.48521 6.86701 10.8992 5.06184 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.27307 6.92837 8.99811 5.10938 5.47319 9.8809 5.29207 5.99857 6.9362 4.69809 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 6.92837 8.27307 8.99811 5.10938 9.8809 5.47319 5.29207 6.9362 5.99857 4.69809 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 7.4389 7.24527 4.98336 13.6781 8.3164 11.4135 10.405 7.07971 11.8087 8.08642 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.42474 8.86938 14.5975 6.92638 7.53905 15.646 4.9759 9.05166 13.1243 3.61827 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 7.42474 8.86938 14.5975 6.92638 7.53905 15.646 6.59976 5.56994 15.3113 3.78964 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.00172 8.66715 8.18495 13.3005 5.82404 9.50322 7.44092 8.77023 12.5855 11.5628 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.84656 4.68975 7.11631 18.3189 9.60411 15.734 14.2595 9.33924 14.8469 11.6349 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.84656 4.68975 7.11631 18.3189 9.60411 15.734 15.9796 7.93372 13.0242 3.76211 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 8.84656 4.9155 5.00817 18.3189 9.60411 14.0674 14.2595 9.33924 9.55584 11.6349 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 8.84656 4.9155 5.00817 18.3189 9.60411 14.0674 15.9796 7.93372 11.988 3.76211 numMergedOcc 0
11 mol 139 unq 0 iso 0 dist 5.11962 9.81432 4.94129 4.71927 6.34417 10.9937 5.21231 5.80789 10.2533 4.37138 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 7.34207 6.44195 9.41666 9.95968 6.23399 14.212 13.1744 8.33439 15.6983 5.18463 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 6.18446 9.96544 5.43601 10.0696 8.3337 13.2564 9.66766 9.10817 6.86828 17.2264 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 6.18446 9.96544 5.43601 10.0696 8.3337 13.2564 7.69814 9.73548 15.043 5.5875 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 7.151 8.53324 7.69449 12.4082 9.77689 17.2403 10.3171 9.57499 5.46926 17.8399 numMergedOcc 0
16 mol 277 unq 1 iso 0 dist 7.151 8.53324 7.69449 7.47195 8.51931 8.96343 10.3171 9.57499 5.46926 6.17642 numMergedOcc 0
17 mol 277 unq 2 iso 0 dist 7.151 7.23956 11.8268 12.4082 9.77689 19.3912 10.3171 9.57499 8.9682 17.8399 numMergedOcc 0
18 mol 277 unq 3 iso 0 dist 7.151 7.23956 11.8268 7.47195 8.51931 9.71491 10.3171 9.57499 8.9682 6.17642 numMergedOcc 0
19 mol 277 unq 4 iso 0 dist 8.53324 7.151 7.69449 7.47195 8.96343 8.51931 10.3171 5.46926 9.57499 6.17642 numMergedOcc 0
20 mol 277 unq 5 iso 0 dist 8.53324 7.151 7.69449 7.47195 8.96343 8.51931 10.6814 5.13913 11.4389 8.24206 numMergedOcc 0
21 mol 277 unq 6 iso 0 dist 8.53324 7.23956 7.08227 7.47195 8.96343 9.71491 10.3171 5.46926 8.9682 6.17642 numMergedOcc 0
22 mol 277 unq 7 iso 0 dist 8.53324 7.23956 7.08227 7.47195 8.96343 9.71491 10.6814 5.13913 6.92711 8.24206 numMergedOcc 0
23 mol 277 unq 8 iso 0 dist 7.23956 7.151 11.8268 12.7088 9.29635 17.8158 8.60807 9.35539 15.5554 12.7269 numMergedOcc 0
24 mol 277 unq 9 iso 0 dist 7.23956 7.151 11.8268 12.7088 9.29635 17.8158 10.3171 8.9682 9.57499 12.2421 numMergedOcc 0
25 mol 277 unq 10 iso 0 dist 7.23956 7.151 11.8268 12.7088 9.29635 17.8158 10.6814 6.92711 11.4389 10.9521 numMergedOcc 0
26 mol 277 unq 11 iso 0 dist 7.23956 8.53324 7.08227 12.7088 9.29635 14.3464 8.60807 9.35539 14.9313 12.7269 numMergedOcc 0
27 mol 277 unq 12 iso 0 dist 7.23956 8.53324 7.08227 12.7088 9.29635 14.3464 10.3171 8.9682 5.46926 12.2421 numMergedOcc 0
28 mol 277 unq 13 iso 0 dist 7.23956 8.53324 7.08227 12.7088 9.29635 14.3464 10.6814 6.92711 5.13913 10.9521 numMergedOcc 0
29 mol 277 unq 14 iso 0 dist 8.33977 8.66941 7.69449 14.7999 9.77689 17.2403 5.04761 9.57499 5.46926 17.8399 numMergedOcc 0
30 mol 277 unq 15 iso 0 dist 8.33977 8.66941 7.69449 5.65499 8.51931 8.96343 5.04761 9.57499 5.46926 6.17642 numMergedOcc 0
31 mol 277 unq 16 iso 0 dist 8.66941 8.33977 7.69449 5.65499 8.96343 8.51931 5.04761 5.46926 9.57499 6.17642 numMergedOcc 0
32 mol 277 unq 17 iso 0 dist 8.66941 8.33977 7.69449 5.65499 8.96343 8.51931 8.42957 5.13913 11.4389 8.24206 numMergedOcc 0
