0 mol 15 unq 0 iso 0 dist 6.61158 7.63656 8.21493 12.2588 7.12903 9.03536 8.72187 5.90976 8.38064 9.97507 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.61158 12.2588 7.12903 7.63656 8.21493 9.03536 8.72187 5.90976 9.97507 8.38064 numMergedOcc 0
2 mol 15 unq 2 iso 0 dist 6.61158 12.2588 7.12903 7.63656 8.21493 9.03536 11.4555 5.51916 6.82505 10.4158 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.05346 4.78943 7.03948 5.48395 5.47769 6.92781 6.36377 6.2983 5.05803 6.31718 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.05346 4.78943 7.03948 10.1011 6.58035 10.7015 6.36377 6.2983 5.05803 10.9143 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 9.05346 5.48395 5.47769 4.78943 7.03948 6.92781 6.36377 6.2983 6.31718 5.05803 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 9.05346 5.48395 5.47769 4.78943 7.03948 6.92781 12.9591 5.94084 7.63133 12.5273 numMergedOcc 0
7 mol 16 unq 4 iso 0 dist 9.05346 5.48395 5.47769 10.1011 6.58035 5.32694 6.36377 6.2983 6.31718 10.9143 numMergedOcc 0
8 mol 16 unq 5 iso 0 dist 9.05346 5.48395 5.47769 10.1011 6.58035 5.32694 12.9591 5.94084 7.63133 5.46498 numMergedOcc 0
9 mol 16 unq 6 iso 0 dist 9.05346 10.1011 6.58035 4.78943 7.03948 10.7015 12.9591 5.94084 5.46498 12.5273 numMergedOcc 0
10 mol 16 unq 7 iso 0 dist 9.05346 10.1011 6.58035 5.48395 5.47769 5.32694 12.9591 5.94084 5.46498 7.63133 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 8.62693 4.09495 9.16962 10.2609 8.82012 13.2136 10.8071 11.887 8.34347 18.9645 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 4.32564 7.06013 5.02055 11.0291 6.99832 7.4729 11.862 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 7.57958 4.71849 5.81965 13.6329 9.70512 8.95922 11.0291 6.99832 7.4729 6.82344 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 7.57958 13.6329 9.70512 4.71849 5.81965 8.95922 11.0291 6.99832 6.82344 7.4729 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 7.57958 13.6329 9.70512 4.32564 7.06013 12.4494 11.0291 6.99832 6.82344 11.862 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 5.27151 7.63616 7.22206 18.7881 11.3679 9.84395 16.5575 numMergedOcc 0
17 mol 117 unq 1 iso 0 dist 9.58171 10.4485 6.62561 5.27151 7.63616 7.22206 6.90827 4.91401 7.90328 7.83136 numMergedOcc 0
18 mol 117 unq 2 iso 0 dist 9.58171 5.27151 7.63616 10.4485 6.62561 7.22206 6.90827 4.91401 7.83136 7.90328 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.95838 5.85391 9.63176 7.38295 7.39889 11.6667 13.3689 10.6679 8.73993 16.7981 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.95838 5.85391 9.63176 11.0075 7.44174 12.4603 13.3689 10.6679 8.73993 12.6489 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 8.95838 11.0075 7.44174 7.38295 7.39889 11.3169 13.2232 7.36192 9.87172 14.5183 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 8.95838 11.0075 7.44174 5.85391 9.63176 12.4603 13.2232 7.36192 9.87172 10.3704 numMergedOcc 0
23 mol 119 unq 4 iso 0 dist 9.47892 18.2257 9.63176 9.58951 7.39889 11.6667 19.5006 10.6679 8.73993 16.7981 numMergedOcc 0
24 mol 119 unq 5 iso 0 dist 9.47892 18.2257 9.63176 9.93013 7.44174 12.4603 19.5006 10.6679 8.73993 12.6489 numMergedOcc 0
25 mol 119 unq 6 iso 0 dist 9.47892 9.93013 7.44174 9.58951 7.39889 11.3169 15.3808 7.36192 9.87172 14.5183 numMergedOcc 0
26 mol 119 unq 7 iso 0 dist 9.47892 9.93013 7.44174 18.2257 9.63176 12.4603 15.3808 7.36192 9.87172 10.3704 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 9.90096 4.29914 8.6243 5.59449 6.91348 6.63273 6.31125 6.19596 7.12972 6.85062 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 9.90096 5.59449 6.91348 4.29914 8.6243 6.63273 6.31125 6.19596 6.85062 7.12972 numMergedOcc 0
29 mol 155 unq 0 iso 0 dist 9.16944 5.01118 9.17284 10.1253 9.87281 10.6882 6.7973 4.9093 6.23493 12.1555 numMergedOcc 0
30 mol 155 unq 1 iso 0 dist 9.16944 5.01118 9.17284 10.1253 9.87281 10.6882 10.6879 6.3437 7.46303 12.3052 numMergedOcc 0
31 mol 155 unq 2 iso 0 dist 9.16944 5.01118 9.17284 9.88413 8.87452 12.1545 6.7973 4.9093 6.23493 11.6934 numMergedOcc 0
32 mol 155 unq 3 iso 0 dist 9.16944 5.01118 9.17284 9.88413 8.87452 12.1545 10.6879 6.3437 7.46303 13.4817 numMergedOcc 0
33 mol 155 unq 4 iso 0 dist 8.02593 9.80448 7.36102 5.01007 7.39644 10.7616 12.6683 8.27726 6.43582 10.7829 numMergedOcc 0
34 mol 155 unq 5 iso 0 dist 8.77391 4.94973 7.36102 12.7814 7.39644 10.7616 11.1867 8.27726 6.43582 10.7829 numMergedOcc 0
35 mol 155 unq 6 iso 0 dist 7.62575 14.7279 9.86313 10.4606 7.51198 5.71071 13.0657 5.86939 6.23493 7.46303 numMergedOcc 0
36 mol 155 unq 7 iso 0 dist 7.62575 10.4606 7.51198 14.7279 9.86313 5.71071 13.0657 5.86939 7.46303 6.23493 numMergedOcc 0
37 mol 155 unq 8 iso 0 dist 7.62575 10.4606 7.51198 14.7279 9.86313 5.71071 10.6076 6.34186 6.43582 10.2463 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 6.98151 11.2013 7.17676 4.15973 5.34718 7.28249 12.3675 11.8759 8.03456 9.81562 numMergedOcc 0
39 mol 236 unq 1 iso 0 dist 6.98151 11.2013 7.17676 4.15973 5.34718 7.28249 11.0771 11.3552 6.84306 7.68742 numMergedOcc 0
40 mol 236 unq 2 iso 0 dist 6.98151 11.2013 7.17676 4.15973 5.34718 7.28249 5.66569 6.04825 9.99038 6.27581 numMergedOcc 0
41 mol 236 unq 3 iso 0 dist 6.98151 11.2013 7.17676 4.15973 5.34718 7.28249 15.7385 12.6468 9.78037 13.499 numMergedOcc 0
42 mol 236 unq 4 iso 0 dist 6.98151 11.2013 7.17676 4.15973 5.34718 7.28249 13.3367 6.40312 8.35971 11.2141 numMergedOcc 0
43 mol 236 unq 5 iso 0 dist 6.98151 4.15973 5.34718 11.2013 7.17676 7.28249 12.3675 11.8759 9.81562 8.03456 numMergedOcc 0
44 mol 236 unq 6 iso 0 dist 6.98151 4.15973 5.34718 11.2013 7.17676 7.28249 11.0771 11.3552 7.68742 6.84306 numMergedOcc 0
45 mol 236 unq 7 iso 0 dist 6.98151 4.15973 5.34718 11.2013 7.17676 7.28249 5.66569 6.04825 6.27581 9.99038 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 9.94175 13.8985 5.38637 14.9782 6.55759 5.42006 10.6346 6.20606 6.57393 11.101 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 9.94175 14.9782 6.55759 13.8985 5.38637 5.42006 13.9196 10.4664 7.31233 10.0756 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 8.81534 5.33567 5.38637 9.85437 6.55759 5.42006 6.24928 6.20606 6.57393 11.101 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 8.81534 9.85437 6.55759 5.33567 5.38637 5.42006 11.3074 10.4664 7.31233 10.0756 numMergedOcc 0
50 mol 238 unq 4 iso 0 dist 9.77231 9.18011 9.29858 15.3161 9.68513 10.1648 8.59074 13.069 5.72887 12.8711 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.7699 8.37865 12.5353 12.348 11.6195 7.88519 15.9169 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 12.7699 8.37865 12.5353 12.2873 11.8736 7.84554 18.2309 numMergedOcc 0
53 mol 259 unq 2 iso 0 dist 9.53092 4.77548 7.48005 12.7699 8.37865 12.5353 11.6963 5.79468 7.46176 11.858 numMergedOcc 0
54 mol 259 unq 3 iso 0 dist 9.53092 4.77548 7.48005 12.7699 8.37865 12.5353 12.3184 12.6649 9.18903 20.3294 numMergedOcc 0
55 mol 259 unq 4 iso 0 dist 9.53092 12.7699 8.37865 4.77548 7.48005 12.5353 12.9189 5.31048 5.30224 12.0576 numMergedOcc 0
56 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 14.3567 7.32347 5.39891 15.5242 6.3384 8.04483 6.33524 numMergedOcc 0
57 mol 282 unq 1 iso 0 dist 9.20119 12.5533 6.85028 6.32603 8.3411 7.76539 15.5242 6.3384 8.04483 13.5481 numMergedOcc 0
58 mol 282 unq 2 iso 0 dist 9.20119 14.3567 7.32347 12.5533 6.85028 5.39891 15.5242 6.3384 6.33524 8.04483 numMergedOcc 0
59 mol 282 unq 3 iso 0 dist 9.20119 14.3567 7.32347 6.32603 8.3411 10.5372 15.5242 6.3384 6.33524 13.5481 numMergedOcc 0
60 mol 282 unq 4 iso 0 dist 8.96997 4.64783 6.85028 10.0286 7.32347 5.39891 11.3408 6.3384 8.04483 6.33524 numMergedOcc 0
61 mol 282 unq 5 iso 0 dist 8.96997 4.64783 6.85028 7.65702 8.3411 7.76539 11.3408 6.3384 8.04483 13.5481 numMergedOcc 0
62 mol 282 unq 6 iso 0 dist 8.96997 10.0286 7.32347 4.64783 6.85028 5.39891 11.3408 6.3384 6.33524 8.04483 numMergedOcc 0
63 mol 282 unq 7 iso 0 dist 8.96997 10.0286 7.32347 7.65702 8.3411 10.5372 11.3408 6.3384 6.33524 13.5481 numMergedOcc 0
