0 mol 115 unq 0 iso 0 dist 6.55511 5.47689 5.11551 6.00348 7.11972 6.5838 10.999 5.39296 6.7225 10.2695 numMergedOcc 0
1 mol 117 unq 0 iso 0 dist 7.0318 5.21051 7.90328 8.12649 9.84395 13.1058 8.30003 10.4589 9.85576 12.1493 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 9.79004 7.33132 8.22656 10.0277 7.24514 6.65743 14.2446 15.4455 9.4473 15.6584 numMergedOcc 0
3 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 5.50176 5.31024 5.32922 9.5355 13.1936 7.57458 10.5524 numMergedOcc 0
4 mol 156 unq 0 iso 0 dist 7.11647 5.59399 7.66148 5.66289 8.94056 10.1658 8.79185 5.70205 6.71202 10.0734 numMergedOcc 0
5 mol 156 unq 1 iso 0 dist 7.11647 5.66289 8.94056 5.59399 7.66148 10.1658 6.67598 5.75141 7.30021 10.6034 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 8.90247 14.0828 8.03334 5.114 9.1374 13.2049 17.8457 9.60754 7.44191 18.07 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 5.114 9.1374 13.2049 18.32 11.1879 6.00053 16.1735 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 6.29601 8.24498 10.5449 8.58709 4.90657 9.8711 12.6756 numMergedOcc 0
9 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 9.81806 6.57273 4.70378 18.7994 14.2632 6.56437 9.2491 numMergedOcc 0
10 mol 224 unq 1 iso 0 dist 9.73411 14.1073 8.95269 9.81806 6.57273 4.70378 19.6107 15.0038 6.23882 10.6031 numMergedOcc 0
11 mol 224 unq 2 iso 0 dist 9.73411 14.1073 8.95269 9.81806 6.57273 4.70378 18.4968 9.59595 9.53131 10.7064 numMergedOcc 0
12 mol 224 unq 3 iso 0 dist 9.73411 14.1073 8.95269 9.81806 6.57273 4.70378 15.0577 5.63485 9.34636 9.79616 numMergedOcc 0
13 mol 224 unq 4 iso 0 dist 9.73411 14.1073 8.95269 5.99647 5.78342 11.5372 18.7994 14.2632 6.56437 17.4981 numMergedOcc 0
14 mol 224 unq 5 iso 0 dist 9.73411 14.1073 8.95269 5.99647 5.78342 11.5372 19.6107 15.0038 6.23882 17.1183 numMergedOcc 0
15 mol 224 unq 6 iso 0 dist 9.73411 14.1073 8.95269 5.99647 5.78342 11.5372 18.4968 9.59595 9.53131 15.1912 numMergedOcc 0
16 mol 224 unq 7 iso 0 dist 9.73411 14.1073 8.95269 5.99647 5.78342 11.5372 15.0577 5.63485 9.34636 10.0081 numMergedOcc 0
17 mol 224 unq 8 iso 0 dist 9.73411 9.81806 6.57273 14.1073 8.95269 4.70378 15.0577 5.63485 9.79616 9.34636 numMergedOcc 0
18 mol 224 unq 9 iso 0 dist 9.73411 9.81806 6.57273 5.99647 5.78342 8.49799 15.0577 5.63485 9.79616 10.0081 numMergedOcc 0
19 mol 224 unq 10 iso 0 dist 9.73411 5.99647 5.78342 14.1073 8.95269 11.5372 13.2758 4.8786 9.29703 12.8171 numMergedOcc 0
20 mol 224 unq 11 iso 0 dist 9.73411 5.99647 5.78342 9.81806 6.57273 8.49799 13.2758 4.8786 9.29703 11.1052 numMergedOcc 0
21 mol 224 unq 12 iso 0 dist 7.07564 11.8217 8.95269 10.8463 6.57273 4.70378 18.3068 14.2632 6.56437 9.2491 numMergedOcc 0
22 mol 224 unq 13 iso 0 dist 7.07564 11.8217 8.95269 10.8463 6.57273 4.70378 16.4902 15.0038 6.23882 10.6031 numMergedOcc 0
23 mol 224 unq 14 iso 0 dist 7.07564 11.8217 8.95269 10.8463 6.57273 4.70378 14.6367 9.59595 9.53131 10.7064 numMergedOcc 0
24 mol 224 unq 15 iso 0 dist 7.07564 11.8217 8.95269 10.8463 6.57273 4.70378 7.7163 5.63485 9.34636 9.79616 numMergedOcc 0
25 mol 224 unq 16 iso 0 dist 7.07564 11.8217 8.95269 5.44863 5.78342 11.5372 18.3068 14.2632 6.56437 17.4981 numMergedOcc 0
26 mol 224 unq 17 iso 0 dist 7.07564 11.8217 8.95269 5.44863 5.78342 11.5372 16.4902 15.0038 6.23882 17.1183 numMergedOcc 0
27 mol 224 unq 18 iso 0 dist 7.07564 11.8217 8.95269 5.44863 5.78342 11.5372 14.6367 9.59595 9.53131 15.1912 numMergedOcc 0
28 mol 224 unq 19 iso 0 dist 7.07564 11.8217 8.95269 5.44863 5.78342 11.5372 7.7163 5.63485 9.34636 10.0081 numMergedOcc 0
29 mol 224 unq 20 iso 0 dist 7.07564 10.8463 6.57273 11.8217 8.95269 4.70378 7.7163 5.63485 9.79616 9.34636 numMergedOcc 0
30 mol 224 unq 21 iso 0 dist 7.07564 10.8463 6.57273 5.44863 5.78342 8.49799 7.7163 5.63485 9.79616 10.0081 numMergedOcc 0
31 mol 224 unq 22 iso 0 dist 7.07564 5.44863 5.78342 11.8217 8.95269 11.5372 9.2 4.8786 9.29703 12.8171 numMergedOcc 0
32 mol 224 unq 23 iso 0 dist 7.07564 5.44863 5.78342 10.8463 6.57273 8.49799 9.2 4.8786 9.29703 11.1052 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 12.3036 14.9329 9.17826 13.0242 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 7.51316 7.22101 4.39704 11.4993 7.69739 9.64299 12.7101 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 7.93609 9.76823 8.33025 7.59919 8.1148 6.0987 16.5277 16.5881 9.73021 9.89226 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 8.17205 10.3933 8.02547 9.27298 8.43057 10.0727 14.4848 10.5691 9.62828 17.6306 numMergedOcc 0
37 mol 261 unq 1 iso 0 dist 8.17205 10.3933 8.02547 7.8624 6.05727 5.51688 14.4848 10.5691 9.62828 13.3636 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 8.80588 5.80223 6.0664 8.30978 6.53701 5.51836 9.9227 4.95798 8.85762 11.1402 numMergedOcc 0
