0 mol 43 unq 0 iso 0 dist 5.63207 6.35333 5.90331 9.2958 6.18681 3.84053 6.15285 7.32913 11.5522 13.2731 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.09042 8.27156 10.894 8.32519 7.31044 5.9487 11.2147 9.11512 18.5792 15.4032 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 8.85601 13.5004 7.05257 10.7791 8.86433 16.8033 17.2775 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 8.85601 11.569 7.05257 12.0987 5.66803 9.21546 13.8276 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 9.9934 8.68247 15.5077 5.64101 9.86325 5.68286 13.9362 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 9.93275 5.8992 9.58336 9.9934 8.68247 6.67525 5.64101 9.86325 10.4792 13.9362 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.48319 9.86416 15.2271 7.88265 8.73538 10.2694 6.77806 7.72515 16.1078 11.71 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 9.00369 12.4961 3.48119 11.8843 8.03869 17.5393 19.4818 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 8.20904 8.3127 11.1747 9.00141 4.17039 10.803 12.8509 8.64054 14.3509 12.5382 numMergedOcc 0
9 mol 128 unq 1 iso 0 dist 8.20904 8.3127 11.1747 4.26814 8.12949 4.48309 12.8509 8.64054 14.3509 11.6314 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 8.49359 9.15913 4.28607 9.29575 6.38294 11.5748 14.3811 numMergedOcc 0
11 mol 206 unq 0 iso 0 dist 9.0815 9.90891 5.91558 7.54599 6.66922 9.76121 7.03455 6.52136 8.45825 10.2225 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 8.81424 10.8002 9.76678 8.88571 7.65121 14.9243 15.823 numMergedOcc 0
13 mol 225 unq 1 iso 0 dist 8.33143 8.14464 14.7684 9.60949 16.2766 5.41981 8.88571 7.65121 14.9243 13.7022 numMergedOcc 0
14 mol 225 unq 2 iso 0 dist 8.33143 9.93754 6.89798 8.81424 10.8002 9.72811 8.88571 7.65121 13.147 15.823 numMergedOcc 0
15 mol 225 unq 3 iso 0 dist 8.33143 9.93754 6.89798 9.60949 16.2766 19.3511 8.88571 7.65121 13.147 13.7022 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 7.65636 11.2023 4.07839 7.52886 7.26758 12.8359 14.8834 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 8.55479 4.0136 11.4108 4.95392 7.58385 13.5435 10.3175 numMergedOcc 0
18 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 8.55479 4.0136 11.4108 6.94755 6.0437 12.1908 7.14871 numMergedOcc 0
19 mol 261 unq 2 iso 0 dist 9.66298 9.80409 13.6041 8.55479 4.30068 11.4108 6.94755 4.85199 12.1908 7.14871 numMergedOcc 0
20 mol 261 unq 3 iso 0 dist 9.66298 9.80409 13.6041 8.55479 4.30068 11.4108 17.3605 9.72159 20.1172 13.812 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 4.49395 6.44657 9.237 5.93983 4.57431 8.33646 9.47966 7.872 15.1926 12.2776 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 4.49395 6.44657 9.237 5.93983 4.57431 8.33646 6.49869 6.32984 8.46833 9.58965 numMergedOcc 0
