0 mol 16 unq 0 iso 0 dist 8.46837 6.84569 6.43294 11.958 8.33883 10.9143 9.59856 5.45161 5.32694 6.31718 5.46269 9.79958 5.46498 10.8455 7.63133 numMergedOcc 0
1 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 7.74524 13.964 10.5523 5.06502 5.73819 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 10.615 14.445 8.13395 6.20293 10.5661 15.3221 14.7803 6.45462 8.93915 numMergedOcc 0
3 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 5.33851 11.7436 8.9232 15.7123 9.38498 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.84699 6.10011 8.04817 13.4367 6.89722 11.4799 10.1112 10.4716 7.4697 9.96396 15.7164 14.4206 16.0453 12.016 9.75218 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 10.1112 10.4716 5.4148 9.96396 5.33851 11.7436 10.2049 15.7123 9.38498 numMergedOcc 0
6 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 15.7164 14.4206 11.6369 12.016 9.75218 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.40844 6.10011 9.76331 5.33851 9.68526 8.9232 10.1112 8.31041 7.4697 9.38498 13.4367 7.26679 11.4799 15.7123 9.96396 numMergedOcc 0
8 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 15.7164 9.30776 16.0453 13.7412 9.75218 numMergedOcc 0
9 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 5.33851 9.68526 8.9232 15.7123 9.38498 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 8.40844 6.10011 9.76331 13.4367 7.26679 11.4799 10.1112 8.31041 7.4697 9.96396 15.7164 9.30776 16.0453 12.016 9.75218 numMergedOcc 0
11 mol 73 unq 8 iso 0 dist 8.40844 6.10011 9.76331 15.7164 9.30776 16.0453 10.1112 8.31041 7.4697 9.75218 5.33851 9.68526 8.9232 13.7412 9.38498 numMergedOcc 0
12 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 13.4367 7.26679 11.4799 12.016 9.96396 numMergedOcc 0
13 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 13.4367 7.26679 6.19304 15.7123 9.96396 numMergedOcc 0
14 mol 73 unq 11 iso 0 dist 8.40844 8.124 5.44275 5.33851 9.68526 10.2049 10.1112 8.31041 5.4148 9.38498 15.7164 9.30776 11.6369 13.7412 9.75218 numMergedOcc 0
15 mol 73 unq 12 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 10.1112 8.31041 5.4148 9.96396 5.33851 9.68526 10.2049 15.7123 9.38498 numMergedOcc 0
16 mol 73 unq 13 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 10.1112 8.31041 5.4148 9.96396 15.7164 9.30776 11.6369 12.016 9.75218 numMergedOcc 0
17 mol 73 unq 14 iso 0 dist 8.40844 8.124 5.44275 15.7164 9.30776 11.6369 10.1112 8.31041 5.4148 9.75218 5.33851 9.68526 10.2049 13.7412 9.38498 numMergedOcc 0
18 mol 73 unq 15 iso 0 dist 8.40844 8.124 5.44275 15.7164 9.30776 11.6369 10.1112 8.31041 5.4148 9.75218 13.4367 7.26679 6.19304 12.016 9.96396 numMergedOcc 0
19 mol 73 unq 16 iso 0 dist 6.99156 6.10011 10.4402 5.33851 9.72442 8.9232 10.1112 11.7069 7.4697 9.38498 13.4367 10.1503 11.4799 15.7123 9.96396 numMergedOcc 0
20 mol 73 unq 17 iso 0 dist 6.99156 6.10011 10.4402 5.33851 9.72442 8.9232 10.1112 11.7069 7.4697 9.38498 15.7164 13.2514 16.0453 13.7412 9.75218 numMergedOcc 0
21 mol 73 unq 18 iso 0 dist 6.99156 8.124 8.0624 5.33851 9.72442 10.2049 10.1112 11.7069 5.4148 9.38498 13.4367 10.1503 6.19304 15.7123 9.96396 numMergedOcc 0
22 mol 73 unq 19 iso 0 dist 6.99156 8.124 8.0624 5.33851 9.72442 10.2049 10.1112 11.7069 5.4148 9.38498 15.7164 13.2514 11.6369 13.7412 9.75218 numMergedOcc 0
23 mol 73 unq 20 iso 0 dist 7.02351 8.16299 11.2674 13.6586 9.68526 20.257 11.0108 8.31041 14.9342 9.38498 10.3774 7.26679 8.70481 15.7123 9.96396 numMergedOcc 0
24 mol 73 unq 21 iso 0 dist 7.02351 8.16299 11.2674 13.6586 9.68526 20.257 11.0108 8.31041 14.9342 9.38498 4.15333 9.30776 10.1207 13.7412 9.75218 numMergedOcc 0
25 mol 73 unq 22 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 11.0108 8.31041 14.9342 9.96396 13.6586 9.68526 20.257 15.7123 9.38498 numMergedOcc 0
26 mol 73 unq 23 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 11.0108 8.31041 14.9342 9.96396 4.15333 9.30776 10.1207 12.016 9.75218 numMergedOcc 0
27 mol 73 unq 24 iso 0 dist 7.02351 8.16299 11.2674 4.15333 9.30776 10.1207 11.0108 8.31041 14.9342 9.75218 10.3774 7.26679 8.70481 12.016 9.96396 numMergedOcc 0
28 mol 73 unq 25 iso 0 dist 7.02351 8.16299 11.2674 4.15333 9.30776 10.1207 11.0108 8.31041 14.9342 9.75218 13.6586 9.68526 20.257 13.7412 9.38498 numMergedOcc 0
29 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 10.8489 13.0248 13.0635 8.95922 6.82344 numMergedOcc 0
30 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 11.8951 14.7579 16.5575 7.22206 7.83136 numMergedOcc 0
31 mol 117 unq 1 iso 0 dist 5.24519 8.81172 6.29427 5.34484 7.70533 9.84395 11.6152 14.3476 13.1058 7.90328 11.7058 16.223 17.163 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 5.50176 10.5524 5.31024 5.32922 7.26382 numMergedOcc 0
33 mol 152 unq 0 iso 0 dist 8.84852 9.60838 5.43283 9.50073 9.10619 13.7502 16.0753 13.9994 19.2672 6.70283 12.5832 13.6844 18.3777 5.42328 5.87555 numMergedOcc 0
34 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 12.3114 15.1988 19.141 6.4896 8.67331 numMergedOcc 0
35 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 12.5832 13.6844 18.3777 5.42328 8.87437 numMergedOcc 0
36 mol 152 unq 3 iso 0 dist 8.84852 9.60838 5.43283 9.50073 9.10619 13.7502 16.0158 14.2552 18.9189 7.16148 12.3114 15.1988 19.141 6.4896 8.05741 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 5.59399 10.6034 12.0598 10.1658 7.66148 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 8.79185 9.19499 9.07974 5.59399 6.71202 12.0598 7.11647 5.70205 5.56175 7.66148 5.66289 10.0734 7.44554 10.1658 8.94056 numMergedOcc 0
39 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 6.80001 9.2491 15.7155 4.70378 6.57273 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 4.99301 9.74059 10.9595 5.25583 6.56437 14.9391 13.0296 14.2632 22.2155 8.95269 14.6635 17.4981 23.3256 11.5372 5.78342 numMergedOcc 0
41 mol 224 unq 2 iso 0 dist 6.36813 9.74059 13.311 5.25583 6.23882 14.9391 13.0296 15.0038 22.2155 8.95269 6.80001 10.6031 15.7155 4.70378 6.57273 numMergedOcc 0
42 mol 224 unq 3 iso 0 dist 6.36813 9.74059 13.311 5.25583 6.23882 14.9391 13.0296 15.0038 22.2155 8.95269 14.6635 17.1183 23.3256 11.5372 5.78342 numMergedOcc 0
43 mol 224 unq 4 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 12.0295 9.36962 5.0744 6.60589 15.6183 14.828 10.103 6.77699 6.65832 numMergedOcc 0
44 mol 224 unq 5 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 12.0295 9.36962 5.0744 6.60589 5.44863 10.0081 5.78342 8.49799 9.16166 numMergedOcc 0
45 mol 224 unq 6 iso 0 dist 7.7163 9.11052 10.3532 11.8217 9.34636 14.0676 7.07564 5.63485 5.60236 8.95269 10.8463 9.79616 10.5128 4.70378 6.57273 numMergedOcc 0
46 mol 224 unq 7 iso 0 dist 7.7163 9.11052 10.3532 11.8217 9.34636 14.0676 7.07564 5.63485 5.60236 8.95269 5.44863 10.0081 5.81334 11.5372 5.78342 numMergedOcc 0
47 mol 224 unq 8 iso 0 dist 7.7163 9.11052 10.3532 10.8463 9.79616 10.5128 7.07564 5.63485 5.60236 6.57273 11.8217 9.34636 14.0676 4.70378 8.95269 numMergedOcc 0
48 mol 224 unq 9 iso 0 dist 7.7163 9.11052 10.3532 10.8463 9.79616 10.5128 7.07564 5.63485 5.60236 6.57273 5.44863 10.0081 5.81334 8.49799 5.78342 numMergedOcc 0
49 mol 224 unq 10 iso 0 dist 7.7163 9.11052 10.3532 10.8463 9.79616 10.5128 12.0295 9.36962 6.91102 6.60589 15.6183 14.828 10.9745 6.77699 6.65832 numMergedOcc 0
50 mol 224 unq 11 iso 0 dist 7.7163 9.11052 10.3532 10.8463 9.79616 10.5128 12.0295 9.36962 6.91102 6.60589 5.44863 10.0081 5.81334 8.49799 9.16166 numMergedOcc 0
51 mol 224 unq 12 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 12.0295 7.18448 5.0744 9.16166 15.6183 13.5897 10.103 11.328 6.65832 numMergedOcc 0
52 mol 224 unq 13 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 12.0295 7.18448 5.0744 9.16166 10.8463 11.1052 6.57273 8.49799 6.60589 numMergedOcc 0
53 mol 224 unq 14 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 7.07564 4.8786 5.60236 5.78342 11.8217 12.8171 14.0676 11.5372 8.95269 numMergedOcc 0
54 mol 224 unq 15 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 7.07564 4.8786 5.60236 5.78342 10.8463 11.1052 10.5128 8.49799 6.57273 numMergedOcc 0
55 mol 224 unq 16 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 12.0295 7.18448 6.91102 9.16166 15.6183 13.5897 10.9745 11.328 6.65832 numMergedOcc 0
56 mol 224 unq 17 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 12.0295 7.18448 6.91102 9.16166 10.8463 11.1052 10.5128 8.49799 6.60589 numMergedOcc 0
57 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 12.9898 14.9329 12.4689 7.22101 7.74349 13.0242 10.0334 4.39704 7.09863 numMergedOcc 0
