0 mol 19 unq 0 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 11.8683 6.74265 8.58657 5.5841 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 18.0681 10.0246 6.85766 11.7128 5.33688 6.71911 7.29033 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 8.21743 8.24309 9.96708 13.3803 6.11922 7.321 9.0131 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 14.8693 15.7123 9.38498 12.6465 7.41074 8.70133 13.4082 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 10.5158 12.016 9.75218 12.6465 7.41074 8.70133 15.9882 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 14.3639 5.42586 7.97049 19.1239 11.6116 9.47876 7.98917 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 14.3639 5.42586 7.47541 19.1239 11.6116 7.22293 7.98917 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 19.3849 10.1164 5.73196 19.1239 11.6116 7.22293 6.47779 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 14.2807 5.33144 6.45675 16.7847 10.1589 8.72704 7.2495 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 15.6365 10.1407 8.86688 16.7847 10.1589 8.72704 15.9331 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.4685 8.02349 6.11741 12.6726 6.09023 9.66954 4.61908 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 7.9258 10.9791 9.33865 12.4685 8.02349 6.11741 13.8918 10.2377 7.64585 10.8939 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 9.26923 10.8507 7.30858 12.6726 6.09023 8.66155 11.3902 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 12.6726 6.09023 8.66155 4.61908 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.1146 11.0256 7.11802 15.6213 8.18495 8.00618 7.46812 4.68409 7.92688 12.2037 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 11.1074 8.85576 7.63312 16.2084 9.53462 7.98142 9.60512 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 11.1074 8.85576 7.63312 16.714 11.1462 7.37327 13.3389 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 9.80543 7.38516 6.03031 11.6537 6.23291 9.19704 8.66809 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 7.51951 5.04299 7.26832 12.4766 13.8543 7.80463 11.6537 6.23291 9.19704 13.231 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 11.5265 4.70378 6.57273 9.89345 7.98696 6.87664 7.12232 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 7.49783 12.8561 8.95269 14.8623 11.5372 5.78342 9.89345 7.98696 6.87664 5.3621 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 8.80858 4.93626 6.60589 10.8126 5.0744 6.57273 10.7011 6.12232 6.65984 5.29877 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 6.61371 5.03564 6.84306 10.4172 5.79505 8.03456 11.0934 11.3552 7.17676 11.8759 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 6.61371 5.03564 6.84306 10.4172 5.79505 8.03456 11.5406 11.6837 6.68463 9.07822 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 6.61371 5.03564 6.84306 14.1598 11.3368 9.99038 11.0934 11.3552 7.17676 6.04825 numMergedOcc 0
25 mol 236 unq 3 iso 0 dist 6.61371 5.03564 6.84306 14.1598 11.3368 9.99038 11.5406 11.6837 6.68463 8.8265 numMergedOcc 0
26 mol 236 unq 4 iso 0 dist 6.61371 5.03564 6.84306 13.7045 11.8739 9.78037 11.0934 11.3552 7.17676 12.6468 numMergedOcc 0
27 mol 236 unq 5 iso 0 dist 6.61371 5.03564 6.84306 13.7045 11.8739 9.78037 11.5406 11.6837 6.68463 5.80136 numMergedOcc 0
28 mol 236 unq 6 iso 0 dist 6.61371 5.03564 6.84306 12.4813 14.7998 8.35971 11.0934 11.3552 7.17676 6.40312 numMergedOcc 0
29 mol 236 unq 7 iso 0 dist 6.61371 5.03564 6.84306 12.4813 14.7998 8.35971 11.5406 11.6837 6.68463 6.2568 numMergedOcc 0
30 mol 236 unq 8 iso 0 dist 6.61371 9.63949 7.68742 10.4172 5.79505 9.81562 11.0934 11.3552 5.34718 11.8759 numMergedOcc 0
31 mol 236 unq 9 iso 0 dist 6.61371 9.63949 7.68742 14.1598 11.3368 6.27581 11.0934 11.3552 5.34718 6.04825 numMergedOcc 0
32 mol 236 unq 10 iso 0 dist 5.90804 13.6195 9.99038 11.8908 9.90963 8.03456 10.3387 6.04825 7.17676 11.8759 numMergedOcc 0
33 mol 236 unq 11 iso 0 dist 5.90804 13.6195 9.99038 11.8908 9.90963 8.03456 14.2759 8.8265 6.68463 9.07822 numMergedOcc 0
34 mol 236 unq 12 iso 0 dist 5.90804 13.6195 9.99038 12.0498 11.3368 6.84306 10.3387 6.04825 7.17676 11.3552 numMergedOcc 0
35 mol 236 unq 13 iso 0 dist 5.90804 13.6195 9.99038 12.0498 11.3368 6.84306 14.2759 8.8265 6.68463 11.6837 numMergedOcc 0
36 mol 236 unq 14 iso 0 dist 5.90804 13.6195 9.99038 15.4854 11.1557 9.78037 10.3387 6.04825 7.17676 12.6468 numMergedOcc 0
37 mol 236 unq 15 iso 0 dist 5.90804 13.6195 9.99038 15.4854 11.1557 9.78037 14.2759 8.8265 6.68463 5.80136 numMergedOcc 0
38 mol 236 unq 16 iso 0 dist 5.90804 13.6195 9.99038 16.1665 10.7497 8.35971 10.3387 6.04825 7.17676 6.40312 numMergedOcc 0
39 mol 236 unq 17 iso 0 dist 5.90804 13.6195 9.99038 16.1665 10.7497 8.35971 14.2759 8.8265 6.68463 6.2568 numMergedOcc 0
40 mol 236 unq 18 iso 0 dist 5.90804 7.45579 6.27581 11.8908 9.90963 9.81562 10.3387 6.04825 5.34718 11.8759 numMergedOcc 0
41 mol 236 unq 19 iso 0 dist 5.90804 7.45579 6.27581 12.0498 11.3368 7.68742 10.3387 6.04825 5.34718 11.3552 numMergedOcc 0
42 mol 261 unq 0 iso 0 dist 7.00833 6.75336 8.45658 10.0402 7.00201 9.14619 10.1364 5.22253 7.47164 7.49174 numMergedOcc 0
43 mol 276 unq 0 iso 0 dist 8.15803 11.2406 9.8993 12.9942 6.88557 6.87396 11.2905 7.54851 8.76347 6.4102 numMergedOcc 0
