0 mol 11 unq 0 iso 0 dist 9.04534 5.71129 6.58046 9.78754 6.51674 6.35398 9.26728 6.83186 10.7048 9.81983 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 13.5984 12.2271 8.70827 14.5294 17.0382 13.0224 8.67426 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 5.04673 4.73713 5.42067 7.7913 5.09449 5.9465 14.5986 10.8202 12.2908 6.89071 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 5.04673 4.36394 7.36435 7.7913 5.09449 6.97962 14.5986 10.8202 13.6054 6.89071 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 6.3323 11.1132 7.44558 14.7325 9.63255 7.02927 15.4151 11.0867 4.56372 5.54226 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 7.08403 14.0364 7.02367 9.09263 5.40648 8.8822 7.1034 9.75234 15.3211 7.40338 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 5.37302 3.52111 9.66219 3.77247 7.02358 13.0914 5.35711 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 7.08403 14.0364 7.02367 5.37302 3.52111 9.66219 7.1034 9.75234 15.3211 6.23759 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 6.01857 11.1675 7.42146 16.3287 10.5934 7.70232 15.47 11.2109 4.46691 6.5788 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 6.01857 11.1675 7.42146 17.054 11.9806 7.4671 15.47 11.2109 4.46691 6.2771 numMergedOcc 0
10 mol 117 unq 2 iso 0 dist 9.30187 6.7814 7.78789 12.6334 6.05048 7.70232 9.55157 9.02015 4.46691 6.5788 numMergedOcc 0
11 mol 117 unq 3 iso 0 dist 9.30187 6.7814 7.78789 10.3116 4.42665 7.4671 9.55157 9.02015 4.46691 6.2771 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.48934 6.4437 9.3273 6.78469 5.16197 9.87644 10.5537 5.60448 6.80544 9.62774 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.41183 5.91683 9.3273 8.01453 5.16197 9.87644 5.51254 5.60448 6.80544 9.62774 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 8.00063 12.1014 8.92592 8.90876 5.71136 7.44629 7.13766 8.89343 12.7437 6.12453 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 8.00063 12.1014 8.92592 8.90876 5.71136 7.44629 7.29489 12.6485 14.4866 9.87447 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 9.10344 4.41193 8.22001 8.95598 5.69882 6.42735 9.10254 8.53111 5.03539 7.02762 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 7.23557 9.43113 4.8668 9.4797 16.1183 7.35363 7.75318 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.66636 6.8901 9.31158 8.86587 9.43113 4.8668 13.314 16.1183 7.35363 7.75318 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 7.49754 7.78293 8.82761 14.0634 15.5804 7.37798 5.63478 8.24178 4.71943 9.34602 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 7.49754 7.78293 8.82761 11.6475 6.78109 7.73322 7.61073 9.71831 4.67313 8.59946 numMergedOcc 0
21 mol 213 unq 2 iso 0 dist 7.49754 4.67262 4.66576 11.6475 6.78109 8.14332 7.61073 9.71831 7.49785 8.59946 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.69237 10.902 9.7255 17.8986 12.5736 9.20822 15.1448 11.9653 7.00249 8.95332 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.1471 5.25853 9.18744 7.76945 3.96271 8.91712 9.51119 12.9723 13.2948 9.25759 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 9.51119 4.68668 3.65199 9.25759 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 9.1471 5.25853 9.18744 7.76945 3.96271 8.91712 9.51119 12.9723 13.2948 9.25759 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 9.51119 4.68668 3.65199 9.25759 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.1471 5.25853 9.18744 7.76945 3.96271 8.91712 9.51119 12.9723 13.2948 9.25759 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 9.51119 4.68668 3.65199 9.25759 numMergedOcc 0
