0 mol 2 unq 0 iso 0 dist 9.9335 7.99162 11.2776 6.38677 7.37296 9.58976 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.9335 7.99162 11.2776 5.59831 11.9277 6.35342 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 6.22303 8.66947 6.8787 6.80703 9.84876 9.71908 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 10.1407 14.0448 8.47315 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.19567 8.90024 14.2671 18.5048 23.8644 9.74445 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 18.5048 19.9271 9.74445 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 5.63207 6.35333 5.90331 5.97717 11.3287 9.18371 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.32033 6.92837 13.1847 5.74577 12.7518 9.57969 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.93275 5.8992 9.58336 5.18488 10.6063 6.7763 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 8.45341 5.63037 9.69527 6.2653 10.6558 7.8018 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 numMergedOcc 0
13 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 11.0606 14.5401 9.33801 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 10.8385 16.6618 9.10229 numMergedOcc 0
15 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 10.8385 5.43401 9.10229 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 5.67441 5.31281 7.25166 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 6.15949 6.71345 5.24877 5.67441 5.31281 8.42445 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 9.18707 9.50575 11.7723 9.78923 15.2064 6.7225 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.91786 9.50575 7.10772 9.78923 11.1256 6.7225 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 8.95641 14.9147 7.78849 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 8.25412 9.66521 5.14019 5.34424 5.2851 9.18675 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.80671 7.49412 6.81625 11.7007 10.7247 9.31246 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 9.81411 7.49412 8.27017 11.7007 17.1971 9.31246 numMergedOcc 0
25 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 10.121 9.174 9.72526 numMergedOcc 0
26 mol 257 unq 0 iso 0 dist 7.63329 6.26533 5.54149 6.20948 12.7395 8.69184 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 5.49004 10.1334 9.82774 numMergedOcc 0
28 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 5.49004 8.87405 9.82774 numMergedOcc 0
29 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 5.49004 13.0087 9.82774 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.17214 8.33653 5.93692 8.64319 4.74716 8.71213 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 4.49395 6.44657 9.237 14.1417 17.2349 8.71213 numMergedOcc 0
