0 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 7.53564 10.323 9.74445 10.615 8.13395 6.20293 14.445 7.74524 10.5523 5.06502 13.964 5.73819 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.17086 5.90113 8.80331 7.53564 10.323 9.74445 10.615 8.13395 6.20293 14.445 10.5661 14.7803 6.45462 15.3221 8.93915 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 7.84699 5.2774 6.89722 10.1112 5.4148 9.96396 10.4716 5.33851 10.2049 15.7123 11.7436 9.38498 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 7.84699 5.2774 6.89722 10.1112 5.4148 9.96396 10.4716 15.7164 11.6369 12.016 14.4206 9.75218 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.124 13.4367 6.19304 8.40844 5.44275 7.26679 10.1112 5.4148 9.96396 8.31041 5.33851 10.2049 15.7123 9.68526 9.38498 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.124 13.4367 6.19304 8.40844 5.44275 7.26679 10.1112 5.4148 9.96396 8.31041 15.7164 11.6369 12.016 9.30776 9.75218 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.16299 10.3774 8.70481 12.1654 13.9156 6.89722 11.0108 14.9342 9.96396 10.4716 13.6586 20.257 15.7123 11.7436 9.38498 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.16299 10.3774 8.70481 12.1654 13.9156 6.89722 11.0108 14.9342 9.96396 10.4716 4.15333 10.1207 12.016 14.4206 9.75218 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 8.16299 10.3774 8.70481 7.02351 11.2674 7.26679 11.0108 14.9342 9.96396 8.31041 13.6586 20.257 15.7123 9.68526 9.38498 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 8.16299 10.3774 8.70481 7.02351 11.2674 7.26679 11.0108 14.9342 9.96396 8.31041 4.15333 10.1207 12.016 9.30776 9.75218 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 8.27015 12.6626 8.70481 15.154 13.9156 6.89722 20.562 14.9342 9.96396 10.4716 23.2281 20.257 15.7123 11.7436 9.38498 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 8.27015 12.6626 8.70481 15.154 13.9156 6.89722 20.562 14.9342 9.96396 10.4716 16.1582 10.1207 12.016 14.4206 9.75218 numMergedOcc 0
12 mol 73 unq 10 iso 0 dist 8.27015 12.6626 8.70481 13.9009 11.2674 7.26679 20.562 14.9342 9.96396 8.31041 23.2281 20.257 15.7123 9.68526 9.38498 numMergedOcc 0
13 mol 73 unq 11 iso 0 dist 8.27015 12.6626 8.70481 13.9009 11.2674 7.26679 20.562 14.9342 9.96396 8.31041 16.1582 10.1207 12.016 9.30776 9.75218 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 5.24519 6.29427 7.70533 11.6152 13.1058 7.90328 14.3476 11.8951 16.5575 7.22206 14.7579 7.83136 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 8.81172 5.34484 9.84395 5.24519 6.29427 7.70533 11.6152 13.1058 7.90328 14.3476 11.7058 17.163 9.3584 16.223 7.0603 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.43069 7.33132 6.82262 14.2446 11.1611 9.4473 9.79004 5.61668 8.22656 15.4455 10.0277 10.2995 6.65743 15.6584 7.24514 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 9.5355 13.1936 7.57458 10.5719 5.50998 7.73169 12.288 5.50176 5.31024 5.32922 10.5524 7.26382 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 6.67598 5.0966 7.30021 7.11647 5.56175 8.94056 5.75141 5.59399 12.0598 10.1658 10.6034 7.66148 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 7.98018 4.68187 9.83699 11.5769 12.865 7.30021 11.8093 11.2719 8.94056 5.75141 12.2852 15.1382 10.1658 10.6034 7.66148 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 15.0577 5.63485 9.79616 10.1632 5.0744 6.60589 9.36962 8.98459 10.103 6.77699 14.828 6.65832 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 15.0577 5.63485 9.79616 10.1632 5.0744 6.60589 9.36962 5.99647 5.78342 8.49799 10.0081 9.16166 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 13.2758 4.8786 9.29703 10.1632 5.0744 9.16166 7.18448 8.98459 10.103 11.328 13.5897 6.65832 numMergedOcc 0
23 mol 224 unq 3 iso 0 dist 9.73411 5.99647 5.78342 13.2758 4.8786 9.29703 10.1632 5.0744 9.16166 7.18448 9.81806 6.57273 8.49799 11.1052 6.60589 numMergedOcc 0
24 mol 224 unq 4 iso 0 dist 7.75485 5.99647 5.81334 13.2758 6.38066 9.29703 9.73411 5.60236 5.78342 4.8786 14.1073 14.0676 11.5372 12.8171 8.95269 numMergedOcc 0
25 mol 224 unq 5 iso 0 dist 7.75485 5.99647 5.81334 13.2758 6.38066 9.29703 9.73411 5.60236 5.78342 4.8786 9.81806 10.5128 8.49799 11.1052 6.57273 numMergedOcc 0
26 mol 224 unq 6 iso 0 dist 7.75485 5.99647 5.81334 13.2758 6.38066 9.29703 10.1632 6.91102 9.16166 7.18448 8.98459 10.9745 11.328 13.5897 6.65832 numMergedOcc 0
27 mol 224 unq 7 iso 0 dist 7.75485 5.99647 5.81334 13.2758 6.38066 9.29703 10.1632 6.91102 9.16166 7.18448 9.81806 10.5128 8.49799 11.1052 6.60589 numMergedOcc 0
28 mol 224 unq 8 iso 0 dist 7.07564 10.8463 6.57273 7.7163 5.63485 9.79616 12.0295 5.0744 6.60589 9.36962 15.6183 10.103 6.77699 14.828 6.65832 numMergedOcc 0
29 mol 224 unq 9 iso 0 dist 7.07564 10.8463 6.57273 7.7163 5.63485 9.79616 12.0295 5.0744 6.60589 9.36962 5.44863 5.78342 8.49799 10.0081 9.16166 numMergedOcc 0
30 mol 224 unq 10 iso 0 dist 7.07564 5.44863 5.78342 9.2 4.8786 9.29703 12.0295 5.0744 9.16166 7.18448 15.6183 10.103 11.328 13.5897 6.65832 numMergedOcc 0
31 mol 224 unq 11 iso 0 dist 7.07564 5.44863 5.78342 9.2 4.8786 9.29703 12.0295 5.0744 9.16166 7.18448 10.8463 6.57273 8.49799 11.1052 6.60589 numMergedOcc 0
32 mol 224 unq 12 iso 0 dist 9.11052 5.44863 5.81334 9.2 6.38066 9.29703 7.07564 5.60236 5.78342 4.8786 11.8217 14.0676 11.5372 12.8171 8.95269 numMergedOcc 0
33 mol 224 unq 13 iso 0 dist 9.11052 5.44863 5.81334 9.2 6.38066 9.29703 7.07564 5.60236 5.78342 4.8786 10.8463 10.5128 8.49799 11.1052 6.57273 numMergedOcc 0
34 mol 224 unq 14 iso 0 dist 9.11052 5.44863 5.81334 9.2 6.38066 9.29703 12.0295 6.91102 9.16166 7.18448 15.6183 10.9745 11.328 13.5897 6.65832 numMergedOcc 0
35 mol 224 unq 15 iso 0 dist 9.11052 5.44863 5.81334 9.2 6.38066 9.29703 12.0295 6.91102 9.16166 7.18448 10.8463 10.5128 8.49799 11.1052 6.60589 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 7.71761 5.841 7.55216 7.99145 11.4528 9.17826 12.9898 12.4689 7.22101 14.9329 7.74349 10.0334 4.39704 13.0242 7.09863 numMergedOcc 0
37 mol 252 unq 0 iso 0 dist 7.93609 9.76823 8.33025 16.5277 16.5881 9.73021 13.7964 8.41807 9.2288 12.5855 7.59919 8.1148 6.0987 9.89226 8.1715 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 5.75874 5.20592 8.53687 9.16548 7.55268 6.77279 10.9903 10.582 8.13497 5.71237 6.80302 10.5767 4.69778 9.58006 7.88519 numMergedOcc 0
