0 mol 46 unq 0 iso 0 dist 5.43693 5.53419 6.08836 3.57198 5.4713 3.77542 13.1965 14.1986 9.4824 9.97314 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.03404 5.7836 6.71583 11.505 12.3189 6.5241 14.3851 11.6285 10.1674 8.22812 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.03404 5.7836 6.71583 11.505 12.3189 6.5241 11.3217 10.3539 5.61785 4.22002 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.03404 5.7836 6.71583 11.505 12.3189 6.5241 13.8474 11.9345 8.43495 5.77855 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.03404 5.7836 6.71583 11.505 12.3189 6.5241 11.3188 10.305 6.20957 8.10774 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 6.03404 7.32996 3.34853 13.357 11.3096 8.0812 18.0227 13.3542 10.8994 8.14245 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 6.03404 7.32996 3.34853 13.357 11.3096 8.0812 15.5445 12.2282 9.94041 6.36817 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 6.03404 7.32996 3.34853 13.357 11.3096 8.0812 13.8202 9.96477 6.96103 4.17933 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 6.03404 7.32996 3.34853 13.357 11.3096 8.0812 11.605 7.62408 4.54874 5.54893 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 6.07052 5.82264 6.77378 11.5388 12.2099 6.36817 11.2213 10.3981 6.29252 8.14245 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 6.07052 5.82264 6.77378 11.5388 12.2099 6.36817 14.3528 11.3878 9.94041 8.0812 numMergedOcc 0
11 mol 48 unq 10 iso 0 dist 6.07052 5.82264 6.77378 11.5388 12.2099 6.36817 11.342 10.4059 5.553 4.17933 numMergedOcc 0
12 mol 48 unq 11 iso 0 dist 6.07052 5.82264 6.77378 11.5388 12.2099 6.36817 13.6649 11.7054 8.14415 5.54893 numMergedOcc 0
13 mol 48 unq 12 iso 0 dist 6.07052 7.20729 3.3785 10.8889 11.3818 8.65524 13.73 9.71725 6.87266 8.96151 numMergedOcc 0
14 mol 48 unq 13 iso 0 dist 6.07052 7.20729 3.3785 10.8889 11.3818 8.65524 11.6534 7.56478 4.62605 9.02535 numMergedOcc 0
15 mol 48 unq 14 iso 0 dist 6.07052 7.20729 3.3785 13.697 11.456 8.22812 13.73 9.71725 6.87266 4.22002 numMergedOcc 0
16 mol 48 unq 15 iso 0 dist 6.07052 7.20729 3.3785 13.697 11.456 8.22812 11.6534 7.56478 4.62605 5.77855 numMergedOcc 0
17 mol 48 unq 16 iso 0 dist 6.07052 7.20729 3.3785 13.697 11.456 8.22812 17.948 13.0954 10.9047 8.10774 numMergedOcc 0
18 mol 48 unq 17 iso 0 dist 6.07052 7.20729 3.3785 13.697 11.456 8.22812 15.8154 12.2618 10.1674 6.5241 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 9.77084 7.56495 11.5615 6.29733 13.1717 4.15789 7.63923 10.6375 5.30569 4.808 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 9.77084 7.63923 10.6375 6.29733 13.1717 4.808 7.56495 11.5615 5.30569 4.15789 numMergedOcc 0
21 mol 79 unq 2 iso 0 dist 8.02443 8.84225 6.49084 10.8556 10.6844 4.808 13.2872 10.0358 7.13643 6.20144 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 9.09458 7.38548 10.0358 5.79629 10.6844 6.20144 6.72546 6.49084 7.13643 4.808 numMergedOcc 0
23 mol 79 unq 4 iso 0 dist 9.09458 6.72546 6.49084 5.79629 10.6844 4.808 7.38548 10.0358 7.13643 6.20144 numMergedOcc 0
24 mol 79 unq 5 iso 0 dist 6.5551 7.56495 10.2908 6.29733 9.73588 4.15789 7.63923 7.19532 5.30569 4.808 numMergedOcc 0
25 mol 79 unq 6 iso 0 dist 6.5551 7.63923 7.19532 6.29733 9.73588 4.808 7.56495 10.2908 5.30569 4.15789 numMergedOcc 0
26 mol 83 unq 0 iso 0 dist 9.95355 8.99451 6.187 13.9971 12.5651 6.96722 14.5056 8.73269 5.72008 7.61085 numMergedOcc 0
27 mol 83 unq 1 iso 0 dist 9.69913 8.99451 3.31218 13.9971 9.88456 6.96722 14.5056 5.74818 5.72008 7.61085 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 11.3824 12.2971 15.509 9.78707 numMergedOcc 0
29 mol 85 unq 1 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 15.4163 11.7094 11.3346 7.91193 numMergedOcc 0
30 mol 85 unq 2 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 14.0171 10.0372 10.1082 7.07839 numMergedOcc 0
31 mol 85 unq 3 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 15.5788 11.8779 10.1757 9.09711 numMergedOcc 0
32 mol 85 unq 4 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 11.3824 12.2971 15.509 9.63449 numMergedOcc 0
33 mol 85 unq 5 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 11.3824 8.64367 15.509 9.78707 numMergedOcc 0
34 mol 85 unq 6 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 15.4163 10.7591 11.3346 7.91193 numMergedOcc 0
35 mol 85 unq 7 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 14.0171 8.78995 10.1082 7.07839 numMergedOcc 0
36 mol 85 unq 8 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 15.5788 12.4835 10.1757 9.09711 numMergedOcc 0
37 mol 85 unq 9 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 11.3824 8.64367 15.509 9.63449 numMergedOcc 0
38 mol 107 unq 0 iso 0 dist 5.33764 7.89505 3.40943 8.49625 6.49371 8.19484 10.5526 10.4294 13.5807 8.88124 numMergedOcc 0
39 mol 113 unq 0 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 10.4064 10.1118 5.7147 4.49669 numMergedOcc 0
40 mol 113 unq 1 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 11.5441 8.19901 8.09465 6.00221 numMergedOcc 0
41 mol 113 unq 2 iso 0 dist 9.30645 7.40338 9.59189 7.08122 11.1678 7.16619 10.4064 10.1118 5.7147 5.88896 numMergedOcc 0
42 mol 128 unq 0 iso 0 dist 9.59437 7.4442 8.54267 6.30769 13.1048 6.08651 10.8446 12.4609 4.97239 7.76123 numMergedOcc 0
43 mol 169 unq 0 iso 0 dist 6.0859 7.85698 12.6492 6.28646 10.343 5.10589 10.573 14.739 5.23644 4.63336 numMergedOcc 0
44 mol 169 unq 1 iso 0 dist 6.0859 7.85698 12.6492 6.28646 10.343 5.10589 11.9922 14.7454 7.52063 6.10715 numMergedOcc 0
45 mol 169 unq 2 iso 0 dist 9.15283 6.35799 12.6492 7.83748 10.343 5.10589 10.8214 14.739 5.23644 4.63336 numMergedOcc 0
46 mol 169 unq 3 iso 0 dist 9.15283 6.35799 12.6492 7.83748 10.343 5.10589 12.7569 14.7454 7.52063 6.10715 numMergedOcc 0
47 mol 169 unq 4 iso 0 dist 6.05009 7.85698 13.7198 6.28646 10.9391 5.10589 10.573 15.5677 5.23644 4.63336 numMergedOcc 0
48 mol 169 unq 5 iso 0 dist 6.05009 7.85698 13.7198 6.28646 10.9391 5.10589 11.9922 16.1964 7.52063 6.10715 numMergedOcc 0
49 mol 186 unq 0 iso 0 dist 9.45907 8.72743 3.60793 14.2269 8.17928 7.25595 13.2736 4.79079 6.13455 4.87942 numMergedOcc 0
50 mol 186 unq 1 iso 0 dist 8.92115 9.31569 11.6544 9.73374 11.9623 7.25595 12.7028 12.9254 6.13455 4.87942 numMergedOcc 0
51 mol 194 unq 0 iso 0 dist 4.19371 8.43182 9.23342 7.29209 5.89939 4.68722 11.0347 10.3782 5.61057 5.18325 numMergedOcc 0
52 mol 194 unq 1 iso 0 dist 9.71015 8.43182 11.7699 7.29209 8.18853 4.68722 11.0347 13.0759 5.61057 5.18325 numMergedOcc 0
53 mol 214 unq 0 iso 0 dist 5.31416 5.05626 3.14057 6.28944 9.59928 8.66082 8.41013 8.88633 10.5332 7.96338 numMergedOcc 0
54 mol 214 unq 1 iso 0 dist 5.31416 8.41013 8.88633 6.28944 9.59928 7.96338 5.05626 3.14057 10.5332 8.66082 numMergedOcc 0
55 mol 214 unq 2 iso 0 dist 5.44533 5.05626 7.87816 6.28944 7.70062 8.66082 8.41013 3.64285 10.5332 7.96338 numMergedOcc 0
56 mol 214 unq 3 iso 0 dist 5.44533 8.41013 3.64285 6.28944 7.70062 7.96338 5.05626 7.87816 10.5332 8.66082 numMergedOcc 0
57 mol 260 unq 0 iso 0 dist 6.75725 6.12343 8.22506 3.60349 8.51564 7.04263 4.52405 3.68866 8.76827 6.48099 numMergedOcc 0
58 mol 260 unq 1 iso 0 dist 6.75725 4.52405 3.68866 3.60349 8.51564 6.48099 6.12343 8.22506 8.76827 7.04263 numMergedOcc 0
59 mol 260 unq 2 iso 0 dist 9.31888 6.12343 9.94995 3.60349 11.5762 7.04263 4.52405 12.8784 8.76827 6.48099 numMergedOcc 0
60 mol 260 unq 3 iso 0 dist 9.31888 4.52405 12.8784 3.60349 11.5762 6.48099 6.12343 9.94995 8.76827 7.04263 numMergedOcc 0
