0 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 16.6461 9.67164 8.0744 20.3971 12.2041 7.88043 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.3237 7.88043 4.7739 5.99459 8.0744 13.5184 12.2041 5.72491 9.67164 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 13.0772 6.90155 6.29702 4.79873 6.86525 17.3995 10.6808 5.81959 11.4732 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.40051 13.0772 6.90155 13.591 9.48085 13.7717 17.3995 10.6808 5.81959 17.8732 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.18305 11.4574 8.73253 4.21749 8.68662 10.9746 11.0671 5.4148 7.04044 12.2276 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.18305 11.4574 8.73253 5.65986 7.4369 7.8972 11.0671 5.4148 7.04044 9.73086 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.06168 9.33688 5.16364 13.9003 8.72682 5.56296 15.4463 8.07446 8.85586 10.2939 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.06168 9.33688 5.16364 8.88868 6.45841 6.69436 15.4463 8.07446 8.85586 8.62198 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.06168 9.33688 5.16364 10.8798 5.61588 5.50891 15.4463 8.07446 8.85586 5.5087 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 8.06168 9.33688 5.16364 13.7267 7.83244 4.75954 15.4463 8.07446 8.85586 6.08682 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 8.67532 13.4716 5.16364 17.2466 8.72682 5.56296 12.1964 8.07446 8.85586 10.2939 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 8.67532 13.4716 5.16364 10.2047 6.45841 6.69436 12.1964 8.07446 8.85586 8.62198 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 8.67532 13.4716 5.16364 10.8441 5.61588 5.50891 12.1964 8.07446 8.85586 5.5087 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 8.67532 13.4716 5.16364 15.2203 7.83244 4.75954 12.1964 8.07446 8.85586 6.08682 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.3164 10.9842 5.34214 8.08642 7.07971 6.8409 11.4135 4.98336 7.55384 11.8087 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.44385 9.79485 7.99857 5.92411 6.99446 6.29394 5.63005 4.85907 8.56342 7.64052 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 5.63005 9.79485 8.56342 5.92411 7.64052 6.29394 8.44385 4.85907 7.99857 6.99446 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.92932 8.2282 8.20836 3.76211 7.21868 4.935 13.0095 5.62899 7.36779 9.66543 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.60369 4.02705 7.36779 4.63732 9.66543 4.935 9.55556 5.62899 8.20836 7.21868 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.55556 4.02705 8.20836 4.63732 7.21868 4.935 9.60369 5.62899 7.36779 9.66543 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 3.58901 7.41662 9.48862 14.0513 10.7531 7.62942 16.1768 numMergedOcc 0
21 mol 207 unq 0 iso 0 dist 9.18896 12.5598 7.96797 9.63192 5.12567 5.47626 15.4804 11.0921 8.32218 12.2823 numMergedOcc 0
22 mol 207 unq 1 iso 0 dist 9.18896 12.5598 7.96797 5.10056 6.0563 7.64813 15.4804 11.0921 8.32218 10.8457 numMergedOcc 0
23 mol 207 unq 2 iso 0 dist 9.18896 12.5598 7.96797 3.94578 8.1244 11.9725 15.4804 11.0921 8.32218 12.7815 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 7.0843 5.77167 6.29367 3.5359 8.75536 6.57708 7.73315 4.72474 5.76954 7.33709 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 7.0843 5.77167 6.29367 3.5359 8.75536 6.57708 6.9398 6.17651 9.20961 6.67404 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 7.0843 13.9605 8.86175 3.5359 8.75536 13.4147 7.73315 4.72474 6.29511 7.33709 numMergedOcc 0
27 mol 218 unq 3 iso 0 dist 7.73315 5.77167 5.76954 3.5359 7.33709 6.57708 7.0843 4.72474 6.29367 8.75536 numMergedOcc 0
28 mol 218 unq 4 iso 0 dist 7.73315 5.77167 5.76954 3.5359 7.33709 6.57708 6.9398 5.61978 9.20961 6.67404 numMergedOcc 0
29 mol 218 unq 5 iso 0 dist 7.73315 13.9605 6.29511 3.5359 7.33709 13.4147 7.0843 4.72474 8.86175 8.75536 numMergedOcc 0
30 mol 218 unq 6 iso 0 dist 6.9398 5.77167 9.20961 3.5359 6.67404 6.57708 7.0843 6.17651 6.29367 8.75536 numMergedOcc 0
31 mol 218 unq 7 iso 0 dist 6.9398 5.77167 9.20961 3.5359 6.67404 6.57708 7.73315 5.61978 5.76954 7.33709 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 8.6537 7.78418 8.92743 3.72432 7.27993 6.93188 10.8071 6.94172 8.08082 11.0297 numMergedOcc 0
33 mol 229 unq 1 iso 0 dist 8.6537 7.78418 8.92743 3.72432 7.27993 6.93188 5.57702 7.0298 5.77318 6.95201 numMergedOcc 0
34 mol 229 unq 2 iso 0 dist 8.6537 7.78418 8.92743 3.72432 7.27993 6.93188 13.1488 15.7694 8.19603 14.1436 numMergedOcc 0
35 mol 229 unq 3 iso 0 dist 5.57702 7.78418 5.77318 3.72432 6.95201 6.93188 8.6537 7.0298 8.92743 7.27993 numMergedOcc 0
36 mol 229 unq 4 iso 0 dist 5.57702 7.78418 5.77318 3.72432 6.95201 6.93188 10.8071 5.5729 8.08082 11.0297 numMergedOcc 0
37 mol 229 unq 5 iso 0 dist 5.57702 7.78418 5.77318 3.72432 6.95201 6.93188 13.1488 9.96077 8.19603 14.1436 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 7.86368 6.83465 7.5366 9.8663 7.81215 11.0592 11.1688 9.82284 7.56091 16.672 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 7.86368 6.83465 7.5366 9.8663 7.81215 11.0592 12.3151 5.88703 8.24186 11.6391 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.54857 12.7168 8.55558 5.49348 5.85442 7.32929 9.56653 9.98105 8.59697 6.9899 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 9.54857 12.7168 8.55558 5.13138 6.95511 9.55426 9.56653 9.98105 8.59697 10.4017 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 6.42725 12.2782 8.59697 11.761 8.03219 4.67584 9.73341 9.98105 8.55558 11.7465 numMergedOcc 0
43 mol 259 unq 3 iso 0 dist 6.42725 12.2782 8.59697 6.09466 6.9899 7.32929 9.73341 9.98105 8.55558 5.85442 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 7.36905 5.7394 7.52281 3.63202 5.90924 7.36132 6.83408 8.96144 6.42588 9.58916 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 6.83408 5.7394 6.42588 3.63202 9.58916 7.36132 7.36905 8.96144 7.52281 5.90924 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 17.8399 9.57499 14.6871 15.7271 6.59123 9.65707 10.4733 numMergedOcc 0
47 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 6.17642 9.57499 14.6871 12.7783 6.59123 9.65707 10.4733 numMergedOcc 0
