0 mol 20 unq 0 iso 0 dist 9.22796 9.03714 5.9809 11.0961 5.28474 5.83917 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.60699 8.52538 6.79475 16.1259 9.56136 9.06516 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.26417 13.1473 6.53824 15.7694 9.85358 9.37102 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 9.26417 13.1473 6.53824 12.0518 4.85556 5.4605 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 9.26417 16.7405 7.67686 15.7694 9.85358 8.8184 numMergedOcc 0
5 mol 72 unq 3 iso 0 dist 9.26417 16.7405 7.67686 12.0518 4.85556 6.1906 numMergedOcc 0
6 mol 72 unq 4 iso 0 dist 9.26417 16.7405 7.67686 9.87311 3.44489 8.70809 numMergedOcc 0
7 mol 72 unq 5 iso 0 dist 8.16985 5.00053 9.14817 7.81344 3.43675 9.76686 numMergedOcc 0
8 mol 72 unq 6 iso 0 dist 8.16985 5.00053 9.14817 5.49421 5.75711 9.437 numMergedOcc 0
9 mol 72 unq 7 iso 0 dist 7.81344 5.00053 9.76686 8.16985 3.43675 9.14817 numMergedOcc 0
10 mol 72 unq 8 iso 0 dist 7.81344 5.00053 9.76686 5.49421 5.26077 9.437 numMergedOcc 0
11 mol 72 unq 9 iso 0 dist 7.49245 9.57455 9.76686 10.226 3.43675 9.14817 numMergedOcc 0
12 mol 72 unq 10 iso 0 dist 7.49245 9.57455 9.76686 8.9225 5.26077 9.437 numMergedOcc 0
13 mol 72 unq 11 iso 0 dist 5.49421 5.00053 9.437 8.16985 5.75711 9.14817 numMergedOcc 0
14 mol 72 unq 12 iso 0 dist 5.49421 5.00053 9.437 7.81344 5.26077 9.76686 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 6.74197 10.1356 4.44979 12.3653 6.70343 6.61111 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.77418 10.9659 6.12922 12.3351 5.11 8.91262 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 6.88175 10.06 6.55202 14.8889 12.7135 9.08536 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.49352 10.8174 6.57379 9.78764 4.87973 5.73203 numMergedOcc 0
19 mol 135 unq 0 iso 0 dist 7.29835 6.03033 9.09753 8.08732 3.61409 7.6337 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 8.08732 6.03033 7.6337 7.29835 3.61409 9.09753 numMergedOcc 0
21 mol 135 unq 2 iso 0 dist 9.13739 4.51614 7.6337 10.1055 3.61409 9.09753 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 8.0852 4.55959 6.65272 8.83222 4.89072 9.66989 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 8.83222 4.55959 9.66989 8.0852 4.89072 6.65272 numMergedOcc 0
24 mol 173 unq 0 iso 0 dist 8.51691 9.61315 8.62366 13.9069 6.03503 9.44973 numMergedOcc 0
25 mol 173 unq 1 iso 0 dist 8.51691 9.61315 8.62366 12.2122 7.19559 6.52508 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 9.26885 9.24953 6.11135 13.5497 5.31005 7.10155 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.40158 15.6966 9.08687 10.4672 9.64248 9.82327 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.40158 15.6966 9.08687 10.518 8.33582 7.06768 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 5.41453 5.61491 7.24334 10.7584 11.1752 5.43613 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.2885 5.4536 8.84648 10.5384 8.0048 6.23661 numMergedOcc 0
31 mol 267 unq 0 iso 0 dist 4.42902 6.07755 6.32877 10.4624 6.14857 9.48115 numMergedOcc 0
32 mol 267 unq 1 iso 0 dist 4.42902 6.07755 6.32877 13.7094 12.5387 8.38545 numMergedOcc 0
33 mol 267 unq 2 iso 0 dist 4.42902 6.07755 6.32877 10.5017 11.3792 5.08174 numMergedOcc 0
34 mol 267 unq 3 iso 0 dist 4.42902 6.07755 6.32877 12.1578 11.7355 6.10838 numMergedOcc 0
35 mol 267 unq 4 iso 0 dist 9.5358 13.7223 5.08174 19.3103 11.3792 6.32877 numMergedOcc 0
36 mol 267 unq 5 iso 0 dist 9.5358 13.7223 5.08174 21.6574 13.5886 9.48115 numMergedOcc 0
37 mol 267 unq 6 iso 0 dist 9.5358 13.7223 5.08174 16.6278 7.9327 8.38545 numMergedOcc 0
38 mol 267 unq 7 iso 0 dist 9.5358 13.7223 5.08174 11.3922 3.51278 6.10838 numMergedOcc 0
39 mol 272 unq 0 iso 0 dist 9.21411 8.07198 6.95241 12.1586 9.5745 8.84523 numMergedOcc 0
