0 mol 16 unq 0 iso 0 dist 8.33883 5.38671 5.05803 5.77753 6.2983 7.03948 5.45161 6.31718 6.92781 5.47769 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 5.38671 5.05803 5.77753 6.2983 7.03948 6.43294 10.9143 10.7015 6.58035 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.33883 5.45161 6.31718 5.77753 6.2983 5.47769 5.38671 5.05803 6.92781 7.03948 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 8.33883 5.45161 6.31718 5.77753 6.2983 5.47769 6.43294 10.9143 5.32694 6.58035 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 9.51458 13.4082 8.70133 9.76331 8.9232 7.4697 5.64598 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.68526 8.31041 9.38498 9.51458 13.4082 8.70133 5.44275 10.2049 5.4148 4.65521 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.72442 11.7069 9.38498 10.9127 13.4082 8.70133 10.4402 8.9232 7.4697 5.64598 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 9.72442 11.7069 9.38498 10.9127 13.4082 8.70133 8.0624 10.2049 5.4148 4.65521 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 6.89722 10.4716 9.96396 6.4154 7.41074 8.70133 8.04817 11.4799 7.4697 5.64598 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 6.89722 10.4716 9.96396 6.4154 7.41074 8.70133 5.2774 6.19304 5.4148 4.65521 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 6.89722 5.2774 6.19304 6.4154 7.41074 4.65521 10.4716 9.96396 5.4148 8.70133 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 6.89722 5.2774 6.19304 6.4154 7.41074 4.65521 8.04817 11.4799 5.7113 5.64598 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 7.26679 8.31041 9.96396 9.51458 7.41074 8.70133 9.76331 11.4799 7.4697 5.64598 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 7.26679 8.31041 9.96396 9.51458 7.41074 8.70133 5.44275 6.19304 5.4148 4.65521 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 7.26679 5.44275 6.19304 9.51458 7.41074 4.65521 8.31041 9.96396 5.4148 8.70133 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 7.26679 5.44275 6.19304 9.51458 7.41074 4.65521 9.76331 11.4799 5.7113 5.64598 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 9.30776 8.31041 9.75218 9.51458 15.9882 8.70133 9.76331 16.0453 7.4697 5.64598 numMergedOcc 0
17 mol 73 unq 13 iso 0 dist 9.30776 8.31041 9.75218 9.51458 15.9882 8.70133 5.44275 11.6369 5.4148 4.65521 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 11.3299 6.99832 5.81965 15.347 11.862 5.02055 7.06013 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 4.98104 10.7572 7.4729 11.3299 6.99832 5.81965 5.50764 6.82344 8.95922 9.70512 numMergedOcc 0
20 mol 92 unq 2 iso 0 dist 4.98104 5.50764 6.82344 11.3299 6.99832 9.70512 10.7572 7.4729 8.95922 5.81965 numMergedOcc 0
21 mol 92 unq 3 iso 0 dist 4.98104 5.50764 6.82344 11.3299 6.99832 9.70512 15.347 11.862 12.4494 7.06013 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 6.86946 5.889 4.99221 5.52706 5.60178 6.50039 6.98664 11.8322 10.4294 6.87861 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 9.85576 10.4589 7.90328 12.907 4.91401 6.62561 14.2649 7.83136 7.22206 7.63616 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 9.85576 14.2649 7.83136 12.907 4.91401 7.63616 10.4589 7.90328 7.22206 6.62561 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 12.9568 10.3457 8.43904 13.9326 13.9919 9.22558 6.19042 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 19.0836 10.6679 9.63176 24.1816 16.7981 11.6667 7.39889 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 9.42766 14.0677 8.73993 19.0836 10.6679 9.63176 21.9684 12.6489 12.4603 7.44174 numMergedOcc 0
28 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 11.7153 7.01257 7.75534 13.5664 12.1593 7.12167 9.06011 numMergedOcc 0
29 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 8.03243 14.085 8.59981 12.3873 17.6472 11.279 6.192 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 8.40046 9.75166 9.30299 8.03243 14.085 8.59981 9.8591 15.0647 11.4958 7.69308 numMergedOcc 0
31 mol 127 unq 2 iso 0 dist 8.40046 9.75166 9.30299 8.03243 14.085 8.59981 12.9471 14.7391 5.55757 7.66331 numMergedOcc 0
32 mol 127 unq 3 iso 0 dist 8.40046 9.75166 9.30299 14.4347 13.1312 7.34519 12.9471 14.7391 5.55757 8.58999 numMergedOcc 0
33 mol 127 unq 4 iso 0 dist 8.40046 9.75166 9.30299 14.4347 13.1312 7.34519 15.5327 14.9565 6.16471 6.63981 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 7.30021 5.0966 7.44554 11.6317 6.29785 9.36805 9.97803 10.4649 5.76755 8.47155 numMergedOcc 0
35 mol 156 unq 1 iso 0 dist 7.30021 5.0966 7.44554 11.6317 6.29785 9.36805 12.865 9.83699 8.38403 7.55203 numMergedOcc 0
36 mol 156 unq 2 iso 0 dist 7.30021 12.865 9.83699 11.6317 6.29785 7.55203 9.97803 10.4649 7.60354 8.47155 numMergedOcc 0
37 mol 156 unq 3 iso 0 dist 7.30021 12.865 9.83699 11.6317 6.29785 7.55203 5.0966 7.44554 8.38403 9.36805 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 8.49704 10.644 8.85478 6.35728 6.67959 7.46831 4.82712 11.9355 10.3105 8.60247 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 9.33771 5.41021 8.95269 6.4508 5.29877 6.67585 4.91322 6.57273 4.70378 6.65984 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 9.33771 4.91322 6.57273 6.4508 5.29877 6.65984 5.41021 8.95269 4.70378 6.67585 numMergedOcc 0
41 mol 224 unq 2 iso 0 dist 7.39839 4.91322 6.60589 6.4508 6.12232 6.65984 5.41021 9.99123 4.70378 6.67585 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 8.34104 6.43754 8.17891 13.2783 8.65997 5.22356 6.95902 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 8.34104 6.43754 6.95902 14.9329 7.22101 5.22356 8.17891 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 14.2244 9.13836 8.17891 12.5771 10.8157 5.22356 6.95902 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 10.6283 11.216 6.25105 6.16697 9.45496 5.88703 7.85175 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 5.89084 6.16697 9.45496 10.6283 11.216 7.85175 4.74041 6.56247 5.88703 6.25105 numMergedOcc 0
47 mol 234 unq 2 iso 0 dist 8.47009 4.74041 9.36357 10.6283 11.4315 6.25105 6.16697 6.7625 5.88703 7.85175 numMergedOcc 0
48 mol 234 unq 3 iso 0 dist 8.47009 6.16697 6.7625 10.6283 11.4315 7.85175 4.74041 9.36357 5.88703 6.25105 numMergedOcc 0
49 mol 236 unq 0 iso 0 dist 8.77254 10.054 8.35971 13.6012 6.40312 7.17676 16.5623 11.2141 7.28249 5.34718 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 9.75174 13.477 6.57393 12.9258 6.20606 5.38637 16.623 11.101 5.42006 6.55759 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 9.27954 5.79468 7.48005 12.3218 11.858 12.5353 8.37865 numMergedOcc 0
52 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 10.0733 6.3384 6.85028 5.04235 6.33524 5.39891 7.32347 numMergedOcc 0
53 mol 282 unq 1 iso 0 dist 5.67266 9.63727 8.04483 10.0733 6.3384 6.85028 15.3559 13.5481 7.76539 8.3411 numMergedOcc 0
54 mol 282 unq 2 iso 0 dist 5.67266 5.04235 6.33524 10.0733 6.3384 7.32347 9.63727 8.04483 5.39891 6.85028 numMergedOcc 0
55 mol 282 unq 3 iso 0 dist 5.67266 5.04235 6.33524 10.0733 6.3384 7.32347 15.3559 13.5481 10.5372 8.3411 numMergedOcc 0
56 mol 282 unq 4 iso 0 dist 5.80981 9.60898 8.04483 11.4393 6.3384 6.85028 8.37652 6.33524 5.39891 7.32347 numMergedOcc 0
57 mol 282 unq 5 iso 0 dist 5.80981 9.60898 8.04483 11.4393 6.3384 6.85028 16.9657 13.5481 7.76539 8.3411 numMergedOcc 0
58 mol 282 unq 6 iso 0 dist 5.80981 8.37652 6.33524 11.4393 6.3384 7.32347 9.60898 8.04483 5.39891 6.85028 numMergedOcc 0
59 mol 282 unq 7 iso 0 dist 5.80981 8.37652 6.33524 11.4393 6.3384 7.32347 16.9657 13.5481 10.5372 8.3411 numMergedOcc 0
60 mol 282 unq 8 iso 0 dist 9.63346 4.85461 8.04483 5.2527 6.3384 6.85028 8.85797 6.33524 5.39891 7.32347 numMergedOcc 0
61 mol 282 unq 9 iso 0 dist 9.63346 4.85461 8.04483 5.2527 6.3384 6.85028 5.43514 13.5481 7.76539 8.3411 numMergedOcc 0
62 mol 282 unq 10 iso 0 dist 9.63346 8.85797 6.33524 5.2527 6.3384 7.32347 4.85461 8.04483 5.39891 6.85028 numMergedOcc 0
63 mol 282 unq 11 iso 0 dist 9.63346 8.85797 6.33524 5.2527 6.3384 7.32347 5.43514 13.5481 10.5372 8.3411 numMergedOcc 0
