0 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 16.6461 9.67164 8.0744 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.3237 7.88043 4.7739 5.99459 8.0744 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 13 8.80762 4.7739 5.99459 11.7002 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.46229 7.36079 7.05346 3.96333 8.30653 4.3947 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.11056 5.36722 6.72502 6.40447 8.09311 9.94429 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.11056 5.36722 6.72502 3.96014 9.05357 6.88355 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.40051 13.0772 6.90155 6.29702 4.79873 6.86525 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 8.40051 13.0772 6.90155 13.591 9.48085 13.7717 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 8.6396 13.3963 6.6492 10.0172 7.52933 7.41888 numMergedOcc 0
9 mol 25 unq 3 iso 0 dist 8.6396 13.3963 6.6492 5.23233 6.55597 8.89681 numMergedOcc 0
10 mol 25 unq 4 iso 0 dist 8.6396 13.3963 6.6492 13.5673 9.71956 6.97709 numMergedOcc 0
11 mol 25 unq 5 iso 0 dist 8.6396 13.3963 6.6492 10.4709 7.07751 5.5511 numMergedOcc 0
12 mol 25 unq 6 iso 0 dist 8.6396 13.3963 6.6492 12.2787 8.23761 4.38027 numMergedOcc 0
13 mol 25 unq 7 iso 0 dist 8.6396 13.3963 6.6492 13.591 9.49421 11.7199 numMergedOcc 0
14 mol 56 unq 0 iso 0 dist 7.20538 9.91757 6.77886 7.2452 9.03564 10.5332 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.18305 11.4574 8.73253 4.21749 8.68662 10.9746 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.18305 11.4574 8.73253 5.65986 7.4369 7.8972 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 8.06168 9.33688 5.16364 13.9003 8.72682 5.56296 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 8.06168 9.33688 5.16364 8.88868 6.45841 6.69436 numMergedOcc 0
19 mol 73 unq 4 iso 0 dist 8.06168 9.33688 5.16364 10.8798 5.61588 5.50891 numMergedOcc 0
20 mol 73 unq 5 iso 0 dist 8.06168 9.33688 5.16364 13.7267 7.83244 4.75954 numMergedOcc 0
21 mol 73 unq 6 iso 0 dist 8.67532 13.4716 5.16364 17.2466 8.72682 5.56296 numMergedOcc 0
22 mol 73 unq 7 iso 0 dist 8.67532 13.4716 5.16364 10.2047 6.45841 6.69436 numMergedOcc 0
23 mol 73 unq 8 iso 0 dist 8.67532 13.4716 5.16364 10.8441 5.61588 5.50891 numMergedOcc 0
24 mol 73 unq 9 iso 0 dist 8.67532 13.4716 5.16364 15.2203 7.83244 4.75954 numMergedOcc 0
25 mol 76 unq 0 iso 0 dist 8.58841 5.25697 4.79949 16.3337 9.85905 11.0792 numMergedOcc 0
26 mol 76 unq 1 iso 0 dist 8.58841 10.7962 7.27693 16.3337 9.85905 6.48293 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 6.58793 4.81974 7.33422 6.97936 7.7068 6.33204 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 5.23795 9.33861 10.2518 numMergedOcc 0
29 mol 109 unq 0 iso 0 dist 8.3164 10.9842 5.34214 8.08642 7.07971 6.8409 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 5.02717 4.92962 5.72642 5.33827 7.69765 7.27912 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 5.02717 4.92962 5.72642 12.6105 9.42082 10.5109 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 8.44385 9.79485 7.99857 5.92411 6.99446 6.29394 numMergedOcc 0
33 mol 119 unq 1 iso 0 dist 5.63005 9.79485 8.56342 5.92411 7.64052 6.29394 numMergedOcc 0
34 mol 119 unq 2 iso 0 dist 5.63005 6.81112 6.37542 5.92411 7.64052 9.64502 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 9.92932 8.2282 8.20836 3.76211 7.21868 4.935 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 9.60369 4.02705 7.36779 4.63732 9.66543 4.935 numMergedOcc 0
37 mol 134 unq 2 iso 0 dist 9.55556 4.02705 8.20836 4.63732 7.21868 4.935 numMergedOcc 0
38 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 9.60065 7.36975 9.05786 numMergedOcc 0
39 mol 143 unq 1 iso 0 dist 8.30654 6.29937 8.41611 4.68518 5.40637 6.16103 numMergedOcc 0
40 mol 143 unq 2 iso 0 dist 8.30654 6.49958 7.63338 9.60065 7.36975 3.75378 numMergedOcc 0
41 mol 143 unq 3 iso 0 dist 8.30654 6.49958 7.63338 4.68518 5.40637 8.4697 numMergedOcc 0
42 mol 143 unq 4 iso 0 dist 8.30654 6.80782 9.03707 9.60065 7.36975 14.0356 numMergedOcc 0
43 mol 143 unq 5 iso 0 dist 8.30654 6.80782 9.03707 4.68518 5.40637 5.41614 numMergedOcc 0
44 mol 143 unq 6 iso 0 dist 8.30654 5.82537 7.25673 9.60065 7.36975 9.30534 numMergedOcc 0
45 mol 143 unq 7 iso 0 dist 8.30654 5.82537 7.25673 4.68518 5.40637 6.78032 numMergedOcc 0
46 mol 154 unq 0 iso 0 dist 6.23399 9.97577 7.72144 5.18463 8.33439 14.4682 numMergedOcc 0
47 mol 159 unq 0 iso 0 dist 7.97007 6.23157 7.25742 3.82805 9.36259 5.34453 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 8.03995 9.52773 9.83476 11.8169 7.2793 6.38897 numMergedOcc 0
49 mol 186 unq 1 iso 0 dist 8.03995 9.52773 9.83476 14.1849 9.51091 8.93258 numMergedOcc 0
50 mol 186 unq 2 iso 0 dist 8.03995 9.52773 9.83476 3.85767 7.85184 11.924 numMergedOcc 0
51 mol 186 unq 3 iso 0 dist 8.03995 11.8884 6.258 11.8169 7.2793 8.88593 numMergedOcc 0
52 mol 186 unq 4 iso 0 dist 8.03995 11.8884 6.258 14.1849 9.51091 8.7188 numMergedOcc 0
53 mol 186 unq 5 iso 0 dist 8.03995 11.8884 6.258 3.85767 7.85184 9.8366 numMergedOcc 0
54 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 3.58901 7.41662 9.48862 numMergedOcc 0
55 mol 207 unq 0 iso 0 dist 9.18896 9.17928 8.85547 9.63192 5.12567 5.34977 numMergedOcc 0
56 mol 207 unq 1 iso 0 dist 9.18896 9.17928 8.85547 5.10056 6.0563 5.34897 numMergedOcc 0
57 mol 207 unq 2 iso 0 dist 9.18896 9.17928 8.85547 3.94578 8.1244 9.86978 numMergedOcc 0
58 mol 207 unq 3 iso 0 dist 9.18896 12.5598 7.96797 9.63192 5.12567 5.47626 numMergedOcc 0
59 mol 207 unq 4 iso 0 dist 9.18896 12.5598 7.96797 5.10056 6.0563 7.64813 numMergedOcc 0
60 mol 207 unq 5 iso 0 dist 9.18896 12.5598 7.96797 3.94578 8.1244 11.9725 numMergedOcc 0
61 mol 214 unq 0 iso 0 dist 9.51764 10.5029 6.38157 14.8375 7.46481 5.73082 numMergedOcc 0
62 mol 214 unq 1 iso 0 dist 5.36829 8.38755 6.38157 5.47184 7.46481 5.73082 numMergedOcc 0
63 mol 218 unq 0 iso 0 dist 7.0843 5.77167 6.29367 3.5359 8.75536 6.57708 numMergedOcc 0
64 mol 218 unq 1 iso 0 dist 7.0843 13.9605 8.86175 3.5359 8.75536 13.4147 numMergedOcc 0
65 mol 218 unq 2 iso 0 dist 7.73315 9.58139 8.06216 3.5359 7.33709 7.4492 numMergedOcc 0
66 mol 218 unq 3 iso 0 dist 7.73315 5.77167 5.76954 3.5359 7.33709 6.57708 numMergedOcc 0
67 mol 218 unq 4 iso 0 dist 7.73315 13.9605 6.29511 3.5359 7.33709 13.4147 numMergedOcc 0
68 mol 218 unq 5 iso 0 dist 6.9398 5.77167 9.20961 3.5359 6.67404 6.57708 numMergedOcc 0
69 mol 229 unq 0 iso 0 dist 8.6537 7.78418 8.92743 3.72432 7.27993 6.93188 numMergedOcc 0
70 mol 229 unq 1 iso 0 dist 5.57702 7.78418 5.77318 3.72432 6.95201 6.93188 numMergedOcc 0
71 mol 234 unq 0 iso 0 dist 7.86368 6.83465 7.5366 9.8663 7.81215 11.0592 numMergedOcc 0
72 mol 257 unq 0 iso 0 dist 9.83721 11.6666 9.69696 14.007 7.81897 5.96144 numMergedOcc 0
73 mol 257 unq 1 iso 0 dist 7.82899 5.76954 9.95546 14.9352 8.83833 15.1307 numMergedOcc 0
74 mol 259 unq 0 iso 0 dist 9.54857 12.7168 8.55558 5.49348 5.85442 7.32929 numMergedOcc 0
75 mol 259 unq 1 iso 0 dist 9.54857 12.7168 8.55558 5.13138 6.95511 9.55426 numMergedOcc 0
76 mol 259 unq 2 iso 0 dist 6.42725 12.2782 8.59697 11.761 8.03219 4.67584 numMergedOcc 0
77 mol 259 unq 3 iso 0 dist 6.42725 12.2782 8.59697 6.09466 6.9899 7.32929 numMergedOcc 0
78 mol 264 unq 0 iso 0 dist 7.36905 5.7394 7.52281 3.63202 5.90924 7.36132 numMergedOcc 0
79 mol 264 unq 1 iso 0 dist 6.83408 5.7394 6.42588 3.63202 9.58916 7.36132 numMergedOcc 0
80 mol 274 unq 0 iso 0 dist 9.65265 14.2269 7.4099 18.3627 9.30212 5.85225 numMergedOcc 0
81 mol 274 unq 1 iso 0 dist 9.65265 14.2269 7.4099 11.4981 6.4611 13.4431 numMergedOcc 0
82 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 17.8399 9.57499 14.6871 numMergedOcc 0
83 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 6.17642 9.57499 14.6871 numMergedOcc 0
