0 mol 16 unq 0 iso 0 dist 8.46837 6.84569 6.43294 11.958 8.33883 10.9143 11.8413 5.38671 10.7015 5.05803 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 6.84569 6.43294 11.958 8.33883 10.9143 9.59856 5.45161 5.32694 6.31718 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 10.615 14.445 8.13395 6.20293 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 14.4402 13.9079 16.3192 9.5589 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 10.5929 10.4238 14.2075 6.83299 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 13.4367 6.89722 11.4799 10.1112 10.4716 7.4697 9.96396 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.84699 6.10011 8.04817 13.4367 6.89722 11.4799 8.124 5.2774 5.7113 6.19304 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.84699 6.10011 8.04817 13.4367 6.89722 11.4799 19.5696 13.9156 19.0652 8.70481 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 10.1112 10.4716 5.4148 9.96396 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 19.5696 13.9156 13.3558 8.70481 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 8.40844 6.10011 9.76331 5.33851 9.68526 8.9232 10.1112 8.31041 7.4697 9.38498 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 8.40844 6.10011 9.76331 13.4367 7.26679 11.4799 10.1112 8.31041 7.4697 9.96396 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 8.40844 6.10011 9.76331 13.4367 7.26679 11.4799 8.124 5.44275 5.7113 6.19304 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 8.40844 6.10011 9.76331 13.4367 7.26679 11.4799 19.5696 11.2674 19.0652 8.70481 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 8.40844 6.10011 9.76331 15.7164 9.30776 16.0453 10.1112 8.31041 7.4697 9.75218 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 8.40844 8.124 5.44275 5.33851 9.68526 10.2049 10.1112 8.31041 5.4148 9.38498 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 10.1112 8.31041 5.4148 9.96396 numMergedOcc 0
17 mol 73 unq 12 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 19.5696 11.2674 13.3558 8.70481 numMergedOcc 0
18 mol 73 unq 13 iso 0 dist 8.40844 8.124 5.44275 15.7164 9.30776 11.6369 10.1112 8.31041 5.4148 9.75218 numMergedOcc 0
19 mol 73 unq 14 iso 0 dist 6.99156 6.10011 10.4402 5.33851 9.72442 8.9232 10.1112 11.7069 7.4697 9.38498 numMergedOcc 0
20 mol 73 unq 15 iso 0 dist 6.99156 8.124 8.0624 5.33851 9.72442 10.2049 10.1112 11.7069 5.4148 9.38498 numMergedOcc 0
21 mol 73 unq 16 iso 0 dist 7.02351 8.16299 11.2674 13.6586 9.68526 20.257 11.0108 8.31041 14.9342 9.38498 numMergedOcc 0
22 mol 73 unq 17 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 11.0108 8.31041 14.9342 9.96396 numMergedOcc 0
23 mol 73 unq 18 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 10.9082 5.44275 13.3558 6.19304 numMergedOcc 0
24 mol 73 unq 19 iso 0 dist 7.02351 8.16299 11.2674 4.15333 9.30776 10.1207 11.0108 8.31041 14.9342 9.75218 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 4.85152 5.90776 6.82886 11.1785 9.514 12.4557 11.1915 11.8037 15.2227 7.4729 numMergedOcc 0
26 mol 101 unq 0 iso 0 dist 5.51185 9.3485 4.79998 9.11989 8.77773 12.0459 8.97911 5.16122 8.13019 6.57035 numMergedOcc 0
27 mol 102 unq 0 iso 0 dist 9.61113 7.42187 13.5433 13.9809 9.01767 18.0405 12.1389 6.42572 13.5581 7.36792 numMergedOcc 0
28 mol 102 unq 1 iso 0 dist 7.59973 7.42187 8.51668 13.9809 9.80678 18.0405 12.1389 5.54551 13.5581 7.36792 numMergedOcc 0
29 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 5.34484 7.70533 9.84395 11.6152 14.3476 13.1058 7.90328 numMergedOcc 0
30 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 11.0698 14.2649 7.22206 7.83136 numMergedOcc 0
31 mol 117 unq 2 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 10.5123 9.53886 9.3584 7.0603 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 10.5719 12.288 5.50998 7.73169 numMergedOcc 0
33 mol 142 unq 1 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 15.3413 14.2067 11.1395 8.96657 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 8.84852 9.60838 5.43283 9.50073 9.10619 13.7502 15.3848 9.66339 14.9778 8.56324 numMergedOcc 0
35 mol 152 unq 1 iso 0 dist 8.84852 9.60838 5.43283 9.50073 9.10619 13.7502 16.0753 13.9994 19.2672 6.70283 numMergedOcc 0
36 mol 152 unq 2 iso 0 dist 8.84852 9.60838 5.43283 9.50073 9.10619 13.7502 16.0158 14.2552 18.9189 7.16148 numMergedOcc 0
37 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 7.11647 5.75141 5.56175 8.94056 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 13.581 12.865 8.38403 9.83699 numMergedOcc 0
39 mol 156 unq 2 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 9.19499 5.0966 5.56175 7.44554 numMergedOcc 0
40 mol 156 unq 3 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 13.581 12.865 11.2719 9.83699 numMergedOcc 0
41 mol 156 unq 4 iso 0 dist 8.79185 9.19499 9.07974 5.59399 6.71202 12.0598 7.11647 5.70205 5.56175 7.66148 numMergedOcc 0
42 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 8.5834 4.28891 6.8425 7.54212 numMergedOcc 0
43 mol 222 unq 1 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 8.7419 8.81265 6.8425 6.00706 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 4.99301 9.74059 10.9595 5.25583 6.56437 14.9391 13.0296 14.2632 22.2155 8.95269 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 6.36813 9.74059 13.311 5.25583 6.23882 14.9391 13.0296 15.0038 22.2155 8.95269 numMergedOcc 0
46 mol 224 unq 2 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 12.0295 9.36962 5.0744 6.60589 numMergedOcc 0
47 mol 224 unq 3 iso 0 dist 7.7163 9.11052 10.3532 11.8217 9.34636 14.0676 7.07564 5.63485 5.60236 8.95269 numMergedOcc 0
48 mol 224 unq 4 iso 0 dist 7.7163 9.11052 10.3532 10.8463 9.79616 10.5128 7.07564 5.63485 5.60236 6.57273 numMergedOcc 0
49 mol 224 unq 5 iso 0 dist 7.7163 9.11052 10.3532 10.8463 9.79616 10.5128 12.0295 9.36962 6.91102 6.60589 numMergedOcc 0
50 mol 224 unq 6 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 12.0295 7.18448 5.0744 9.16166 numMergedOcc 0
51 mol 224 unq 7 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 9.11052 6.38066 5.60236 5.81334 numMergedOcc 0
52 mol 224 unq 8 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 7.07564 4.8786 5.60236 5.78342 numMergedOcc 0
53 mol 224 unq 9 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 12.0295 7.18448 6.91102 9.16166 numMergedOcc 0
54 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 14.1483 16.2594 9.51866 9.34734 numMergedOcc 0
55 mol 227 unq 1 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 12.9898 14.9329 12.4689 7.22101 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 14.1659 13.2783 12.9332 8.65997 numMergedOcc 0
57 mol 227 unq 3 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 9.8971 10.6504 4.48529 7.56888 numMergedOcc 0
58 mol 230 unq 0 iso 0 dist 5.00735 9.3619 11.491 6.33989 8.43766 11.5044 5.62804 7.07028 5.46301 6.7547 numMergedOcc 0
59 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 5.13233 8.58088 6.42289 10.7821 10.221 7.26417 6.60405 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 8.17922 5.82876 7.97998 10.374 7.80446 11.9707 13.261 6.57235 14.4969 9.10818 numMergedOcc 0
61 mol 274 unq 1 iso 0 dist 8.17922 8.71129 5.7745 10.374 7.80446 13.0885 13.261 6.57235 11.3158 9.10818 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 9.42812 7.07459 13.8339 16.2915 6.90434 20.2357 20.3589 13.2927 24.1081 9.7748 numMergedOcc 0
