0 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 12.8762 11.4878 8.57077 12.2544 5.80437 6.85412 8.27962 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.95341 11.7623 6.33889 13.0231 11.4878 8.57077 9.79973 5.80437 6.85412 8.27962 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.05346 10.1011 6.58035 12.9591 5.94084 5.46498 18.0677 10.9633 8.41862 6.73355 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 12.5192 10.2377 9.33865 13.8388 12.0796 9.66954 6.09023 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 5.58063 5.24961 7.64585 10.8398 10.8939 6.11741 13.8388 12.0796 9.66954 4.61908 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.95838 11.0075 7.44174 13.2232 7.36192 9.87172 19.1969 11.6138 9.38288 11.7228 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.95838 11.0075 7.44174 13.2232 7.36192 9.87172 14.8823 8.58342 6.19042 6.35763 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 9.47892 9.93013 7.44174 15.3808 7.36192 9.87172 10.5795 11.6138 9.38288 11.7228 numMergedOcc 0
8 mol 119 unq 3 iso 0 dist 9.47892 9.93013 7.44174 15.3808 7.36192 9.87172 12.7029 8.58342 6.19042 6.35763 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.90096 5.59449 6.91348 6.31125 6.19596 6.85062 10.3644 10.2027 9.51418 6.6499 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 7.50392 4.94973 9.38946 11.1867 12.8482 6.43582 8.77391 5.68272 7.36102 8.27726 numMergedOcc 0
11 mol 155 unq 1 iso 0 dist 8.02593 9.80448 7.36102 12.6683 8.27726 6.43582 9.75385 5.68272 9.38946 12.8482 numMergedOcc 0
12 mol 155 unq 2 iso 0 dist 8.77391 4.94973 7.36102 11.1867 8.27726 6.43582 7.50392 5.68272 9.38946 12.8482 numMergedOcc 0
13 mol 155 unq 3 iso 0 dist 7.62575 14.7279 9.86313 13.0657 5.86939 6.23493 12.2882 7.63368 7.16254 6.3845 numMergedOcc 0
14 mol 155 unq 4 iso 0 dist 7.62575 10.4606 7.51198 13.0657 5.86939 7.46303 12.2882 7.63368 9.14392 6.3845 numMergedOcc 0
15 mol 155 unq 5 iso 0 dist 7.62575 10.4606 7.51198 10.6076 6.34186 6.43582 12.2882 7.63368 9.14392 12.1814 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 9.86845 6.25083 9.1374 5.41368 5.3528 6.71012 4.77278 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.45395 9.47799 6.94688 13.0329 5.86342 5.98885 5.41368 5.3528 6.71012 9.14057 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 8.45395 9.47799 6.94688 14.039 6.80228 9.15386 5.41368 5.3528 6.71012 11.6919 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.15368 9.09989 6.94688 12.5284 6.25083 9.1374 7.96182 5.3528 6.71012 4.77278 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.15368 9.09989 6.94688 12.9014 5.86342 5.98885 7.96182 5.3528 6.71012 9.14057 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 9.15368 9.09989 6.94688 12.9138 6.80228 9.15386 7.96182 5.3528 6.71012 11.6919 numMergedOcc 0
22 mol 181 unq 6 iso 0 dist 9.20477 4.98009 6.94688 12.0593 6.25083 9.1374 7.90237 5.3528 6.71012 4.77278 numMergedOcc 0
23 mol 181 unq 7 iso 0 dist 9.20477 4.98009 6.94688 10.3248 5.86342 5.98885 7.90237 5.3528 6.71012 9.14057 numMergedOcc 0
24 mol 181 unq 8 iso 0 dist 9.20477 4.98009 6.94688 11.7479 6.80228 9.15386 7.90237 5.3528 6.71012 11.6919 numMergedOcc 0
25 mol 181 unq 9 iso 0 dist 5.41368 9.47799 6.71012 9.86845 4.77278 9.1374 8.45395 5.3528 6.94688 6.25083 numMergedOcc 0
26 mol 181 unq 10 iso 0 dist 5.41368 9.47799 6.71012 13.0329 9.14057 5.98885 8.45395 5.3528 6.94688 5.86342 numMergedOcc 0
27 mol 181 unq 11 iso 0 dist 5.41368 9.47799 6.71012 14.039 11.6919 9.15386 8.45395 5.3528 6.94688 6.80228 numMergedOcc 0
28 mol 181 unq 12 iso 0 dist 7.96182 9.09989 6.71012 12.5284 4.77278 9.1374 9.15368 5.3528 6.94688 6.25083 numMergedOcc 0
29 mol 181 unq 13 iso 0 dist 7.96182 9.09989 6.71012 12.9014 9.14057 5.98885 9.15368 5.3528 6.94688 5.86342 numMergedOcc 0
30 mol 181 unq 14 iso 0 dist 7.96182 9.09989 6.71012 12.9138 11.6919 9.15386 9.15368 5.3528 6.94688 6.80228 numMergedOcc 0
31 mol 181 unq 15 iso 0 dist 7.90237 4.98009 6.71012 12.0593 4.77278 9.1374 9.20477 5.3528 6.94688 6.25083 numMergedOcc 0
32 mol 181 unq 16 iso 0 dist 7.90237 4.98009 6.71012 10.3248 9.14057 5.98885 9.20477 5.3528 6.94688 5.86342 numMergedOcc 0
33 mol 181 unq 17 iso 0 dist 7.90237 4.98009 6.71012 11.7479 11.6919 9.15386 9.20477 5.3528 6.94688 6.80228 numMergedOcc 0
34 mol 181 unq 18 iso 0 dist 9.70025 6.20895 7.37327 13.8362 11.1462 7.81386 10.5869 6.46849 7.98142 9.53462 numMergedOcc 0
35 mol 181 unq 19 iso 0 dist 9.70025 6.20895 7.37327 10.0354 13.3389 7.63312 10.5869 6.46849 7.98142 9.60512 numMergedOcc 0
36 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 15.4893 9.82139 8.56633 18.309 14.5931 7.85058 8.72637 numMergedOcc 0
37 mol 197 unq 1 iso 0 dist 8.32685 10.5326 8.99696 15.4893 9.82139 8.56633 15.9649 8.44549 9.96638 5.69148 numMergedOcc 0
38 mol 197 unq 2 iso 0 dist 6.74777 5.29309 8.99696 11.6279 9.82139 8.56633 13.021 14.5931 7.85058 8.72637 numMergedOcc 0
39 mol 197 unq 3 iso 0 dist 6.74777 5.29309 8.99696 11.6279 9.82139 8.56633 12.0882 8.44549 9.96638 5.69148 numMergedOcc 0
40 mol 197 unq 4 iso 0 dist 9.62514 4.57437 8.99696 12.5442 9.82139 8.56633 10.7449 14.5931 7.85058 8.72637 numMergedOcc 0
41 mol 197 unq 5 iso 0 dist 9.62514 4.57437 8.99696 12.5442 9.82139 8.56633 12.2732 8.44549 9.96638 5.69148 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 8.42382 7.2593 9.62609 15 14.6185 8.65997 11.6985 8.55671 6.95902 6.43754 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 6.98151 11.2013 7.17676 12.3675 11.8759 8.03456 12.9923 7.88539 6.68463 9.07822 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 6.98151 11.2013 7.17676 11.0771 11.3552 6.84306 12.9923 7.88539 6.68463 11.6837 numMergedOcc 0
45 mol 236 unq 2 iso 0 dist 6.98151 11.2013 7.17676 5.66569 6.04825 9.99038 12.9923 7.88539 6.68463 8.8265 numMergedOcc 0
46 mol 236 unq 3 iso 0 dist 6.98151 11.2013 7.17676 15.7385 12.6468 9.78037 12.9923 7.88539 6.68463 5.80136 numMergedOcc 0
47 mol 236 unq 4 iso 0 dist 6.98151 11.2013 7.17676 13.3367 6.40312 8.35971 12.9923 7.88539 6.68463 6.2568 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 9.94175 14.9782 6.55759 13.9196 10.4664 7.31233 13.2376 6.44245 7.02475 11.2717 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 9.94175 14.9782 6.55759 13.9196 10.4664 7.31233 18.4679 10.677 7.67322 12.6986 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 9.94175 14.9782 6.55759 13.9196 10.4664 7.31233 17.2072 12.1411 7.19008 5.17471 numMergedOcc 0
51 mol 238 unq 3 iso 0 dist 8.81534 9.85437 6.55759 11.3074 10.4664 7.31233 14.5073 6.44245 7.02475 11.2717 numMergedOcc 0
52 mol 238 unq 4 iso 0 dist 8.81534 9.85437 6.55759 11.3074 10.4664 7.31233 17.1219 10.677 7.67322 12.6986 numMergedOcc 0
53 mol 238 unq 5 iso 0 dist 8.81534 9.85437 6.55759 11.3074 10.4664 7.31233 14.9366 12.1411 7.19008 5.17471 numMergedOcc 0
54 mol 238 unq 6 iso 0 dist 9.46582 9.23693 7.67322 14.9617 12.6986 7.31233 14.5282 10.677 6.55759 10.4664 numMergedOcc 0
55 mol 238 unq 7 iso 0 dist 9.46582 9.23693 7.67322 14.9617 12.6986 7.31233 13.1095 5.44694 7.02475 11.2717 numMergedOcc 0
56 mol 238 unq 8 iso 0 dist 9.46582 9.23693 7.67322 14.9617 12.6986 7.31233 12.4083 9.50847 7.19008 5.17471 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 8.46351 5.59901 7.76676 9.12507 5.32839 5.30224 10.5745 6.1415 6.77938 4.99891 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 8.44015 11.2529 9.0012 15.3175 9.74238 9.361 6.21206 6.20393 9.5784 9.85579 numMergedOcc 0
59 mol 264 unq 1 iso 0 dist 8.44015 11.2529 9.0012 10.7818 5.12409 6.24356 6.21206 6.20393 9.5784 9.67998 numMergedOcc 0
60 mol 264 unq 2 iso 0 dist 6.21206 11.2529 9.5784 15.3175 9.85579 9.361 8.44015 6.20393 9.0012 9.74238 numMergedOcc 0
61 mol 264 unq 3 iso 0 dist 6.21206 11.2529 9.5784 10.7818 9.67998 6.24356 8.44015 6.20393 9.0012 5.12409 numMergedOcc 0
