0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 8.77133 6.06176 6.36911 14.0737 12.8323 9.87885 7.92429 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 13.3803 6.11922 7.321 13.4016 9.78221 9.55118 6.74416 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 8.4143 13.7926 9.78528 13.3803 6.11922 7.321 18.8579 11.6634 9.10345 5.63793 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 12.6465 7.41074 8.70133 12.8474 5.70116 9.73086 6.15714 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 12.6465 7.41074 4.65521 13.1768 6.20232 8.68662 6.10063 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.23812 9.59988 6.19304 12.6465 7.41074 4.65521 12.8474 5.70116 7.4369 6.15714 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 16.7847 10.1589 8.72704 13.6554 5.9143 7.82475 12.5061 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 16.7847 10.1589 8.72704 11.5608 5.47563 5.35782 12.1093 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.6726 6.09023 9.66954 12.5457 6.63111 6.39384 6.49835 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 7.9258 10.9791 9.33865 13.8918 10.2377 7.64585 12.5457 6.63111 6.39384 5.65471 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 12.6726 6.09023 8.66155 7.84768 4.48636 7.69765 9.13361 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 7.9258 4.75197 5.83991 12.6726 6.09023 8.66155 12.5457 6.63111 9.42082 6.49835 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 9.23645 6.45463 9.87651 11.5728 6.58937 8.62646 9.41209 7.87971 7.20495 4.15547 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 9.23645 6.45463 9.87651 11.5728 6.58937 8.62646 14.8848 12.0033 9.2289 7.0046 numMergedOcc 0
14 mol 167 unq 2 iso 0 dist 9.23645 6.45463 9.87651 11.5728 6.58937 8.62646 12.7968 11.6011 7.02548 6.24722 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 16.2084 9.53462 7.98142 13.6955 6.8757 6.64173 4.48306 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 16.2084 9.53462 7.98142 5.97971 5.71898 9.01624 12.2513 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 7.7544 10.8374 7.81386 16.2084 9.53462 7.98142 9.30874 5.83796 9.55105 10.2172 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 7.7544 10.8374 7.81386 16.714 11.1462 7.37327 13.6955 6.8757 6.64173 4.88823 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 7.7544 10.8374 7.81386 16.714 11.1462 7.37327 5.97971 5.71898 9.01624 14.8923 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 7.7544 10.8374 7.81386 16.714 11.1462 7.37327 9.30874 5.83796 9.55105 14.2334 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 11.6537 6.23291 9.19704 10.4944 13.514 6.52816 13.4094 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 8.80858 4.93626 6.60589 10.7011 6.12232 6.65984 10.0366 5.76843 8.79428 10.9705 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 6.61371 9.63949 7.68742 11.0934 11.3552 5.34718 11.3386 4.89609 9.3206 13.0765 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 5.90804 7.45579 6.27581 10.3387 6.04825 5.34718 10.2767 10.5774 9.3206 13.0765 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 4.80834 7.04671 5.72887 10.5557 13.069 9.29858 5.52788 7.06793 9.72188 11.7938 numMergedOcc 0
26 mol 276 unq 0 iso 0 dist 8.15803 11.2406 9.8993 11.2905 7.54851 8.76347 13.3254 9.39944 8.6759 13.5196 numMergedOcc 0
