0 mol 18 unq 0 iso 0 dist 6.72533 6.39243 4.96555 15.2831 13.7283 9.51761 9.30561 11.0264 7.3094 9.70492 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 6.72533 6.39243 4.96555 9.30561 11.0264 7.3094 15.2831 13.7283 9.51761 9.70492 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.29216 9.1715 4.96555 17.8306 13.7283 9.51761 14.3582 11.0264 7.3094 9.70492 numMergedOcc 0
3 mol 18 unq 1 iso 1 dist 8.29216 9.1715 4.96555 14.3582 11.0264 7.3094 17.8306 13.7283 9.51761 9.70492 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 9.67023 5.26018 6.86126 12.8491 15.6506 9.80098 10.3287 12.0739 7.34143 9.162 numMergedOcc 0
5 mol 52 unq 0 iso 1 dist 9.67023 5.26018 6.86126 10.3287 12.0739 7.34143 12.8491 15.6506 9.80098 9.162 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 6.86785 7.1203 6.55558 5.92851 11.8328 9.80098 6.03647 9.90304 7.34143 9.162 numMergedOcc 0
7 mol 52 unq 1 iso 1 dist 6.86785 7.1203 6.55558 6.03647 9.90304 7.34143 5.92851 11.8328 9.80098 9.162 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 11.6369 15.4232 9.96708 6.12361 13.8194 9.78528 8.24309 numMergedOcc 0
9 mol 72 unq 0 iso 1 dist 8.71615 6.7212 5.46166 6.12361 13.8194 9.78528 11.6369 15.4232 9.96708 8.24309 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.30003 7.0318 10.4589 8.12649 12.1493 9.84395 5.21051 9.85576 7.90328 13.1058 numMergedOcc 0
11 mol 117 unq 0 iso 1 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 8.12649 12.1493 9.84395 13.1058 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 5.50176 10.5524 5.31024 5.32922 numMergedOcc 0
13 mol 142 unq 0 iso 1 dist 9.5355 7.15087 13.1936 5.50176 10.5524 5.31024 8.68855 7.57458 9.2313 5.32922 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.67598 7.11647 5.75141 5.59399 10.6034 7.66148 5.66289 7.30021 8.94056 10.1658 numMergedOcc 0
15 mol 156 unq 0 iso 1 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 5.59399 10.6034 7.66148 10.1658 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 8.98636 7.11647 5.6208 5.59399 10.2601 7.66148 5.66289 12.0043 8.94056 10.1658 numMergedOcc 0
17 mol 156 unq 1 iso 1 dist 8.98636 7.11647 5.6208 5.66289 12.0043 8.94056 5.59399 10.2601 7.66148 10.1658 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 8.79185 7.11647 5.70205 5.59399 6.71202 7.66148 5.66289 10.0734 8.94056 10.1658 numMergedOcc 0
19 mol 156 unq 2 iso 1 dist 8.79185 7.11647 5.70205 5.66289 10.0734 8.94056 5.59399 6.71202 7.66148 10.1658 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 5.114 11.2315 9.1374 14.0828 14.2663 8.03334 13.2049 numMergedOcc 0
21 mol 181 unq 0 iso 1 dist 8.03259 8.90247 6.94401 14.0828 14.2663 8.03334 5.114 11.2315 9.1374 13.2049 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 5.1021 9.8711 9.23153 6.29601 12.6756 8.24498 10.5449 numMergedOcc 0
23 mol 220 unq 0 iso 1 dist 8.58709 6.21273 4.90657 6.29601 12.6756 8.24498 5.1021 9.8711 9.23153 10.5449 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 9.81806 15.9877 6.57273 4.70378 numMergedOcc 0
25 mol 224 unq 0 iso 1 dist 8.68767 9.73411 14.3302 9.81806 15.9877 6.57273 14.1073 20.6047 8.95269 4.70378 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 5.99647 12.7282 5.78342 11.5372 numMergedOcc 0
27 mol 224 unq 1 iso 1 dist 8.68767 9.73411 14.3302 5.99647 12.7282 5.78342 14.1073 20.6047 8.95269 11.5372 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.68767 9.73411 14.3302 9.81806 15.9877 6.57273 5.99647 12.7282 5.78342 8.49799 numMergedOcc 0
29 mol 224 unq 1 iso 1 dist 8.68767 9.73411 14.3302 5.99647 12.7282 5.78342 9.81806 15.9877 6.57273 8.49799 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 10.8463 9.79616 6.57273 4.70378 numMergedOcc 0
31 mol 224 unq 2 iso 1 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 11.8217 9.34636 8.95269 4.70378 numMergedOcc 0
32 mol 224 unq 3 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 5.44863 10.0081 5.78342 11.5372 numMergedOcc 0
33 mol 224 unq 3 iso 1 dist 7.7163 7.07564 5.63485 5.44863 10.0081 5.78342 11.8217 9.34636 8.95269 11.5372 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 5.44863 10.0081 5.78342 8.49799 numMergedOcc 0
35 mol 224 unq 3 iso 1 dist 7.7163 7.07564 5.63485 5.44863 10.0081 5.78342 10.8463 9.79616 6.57273 8.49799 numMergedOcc 0
36 mol 224 unq 4 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 10.8463 11.1052 6.57273 4.70378 numMergedOcc 0
37 mol 224 unq 4 iso 1 dist 9.2 7.07564 4.8786 10.8463 11.1052 6.57273 11.8217 12.8171 8.95269 4.70378 numMergedOcc 0
38 mol 224 unq 5 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 5.44863 9.29703 5.78342 11.5372 numMergedOcc 0
39 mol 224 unq 5 iso 1 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 11.8217 12.8171 8.95269 11.5372 numMergedOcc 0
40 mol 224 unq 5 iso 0 dist 9.2 7.07564 4.8786 10.8463 11.1052 6.57273 5.44863 9.29703 5.78342 8.49799 numMergedOcc 0
41 mol 224 unq 5 iso 1 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 10.8463 11.1052 6.57273 8.49799 numMergedOcc 0
42 mol 253 unq 0 iso 0 dist 9.35766 7.26981 9.56248 9.23512 14.8393 7.32223 10.8952 17.3894 8.31064 7.25988 numMergedOcc 0
43 mol 253 unq 0 iso 1 dist 9.35766 7.26981 9.56248 10.8952 17.3894 8.31064 9.23512 14.8393 7.32223 7.25988 numMergedOcc 0
44 mol 280 unq 0 iso 0 dist 9.047 8.80588 14.1091 8.30978 16.7212 6.53701 5.80223 13.1827 6.0664 5.51836 numMergedOcc 0
45 mol 280 unq 0 iso 1 dist 9.047 8.80588 14.1091 5.80223 13.1827 6.0664 8.30978 16.7212 6.53701 5.51836 numMergedOcc 0
46 mol 280 unq 1 iso 0 dist 9.9227 8.80588 4.95798 8.30978 11.1402 6.53701 5.80223 8.85762 6.0664 5.51836 numMergedOcc 0
47 mol 280 unq 1 iso 1 dist 9.9227 8.80588 4.95798 5.80223 8.85762 6.0664 8.30978 11.1402 6.53701 5.51836 numMergedOcc 0
