0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 5.14627 6.20943 7.82528 5.18512 10.1882 6.92532 6.34272 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 5.14627 6.20943 10.2708 5.18512 10.1882 6.36455 6.34272 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 10.9543 8.78293 12.6444 5.18512 6.92532 6.36455 15.1136 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 7.82074 5.03957 6.55187 8.23643 8.73972 5.18512 6.92532 6.36455 6.87842 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.54938 7.82074 5.03957 5.14627 7.82528 10.2708 5.18512 6.92532 6.36455 6.34272 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 7.82074 4.54938 5.03957 6.55187 8.73972 8.23643 5.18512 6.36455 6.92532 6.87842 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 4.51865 6.864 7.67038 4.69858 6.20943 7.82528 9.47529 10.1882 6.92532 6.34272 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 5.39241 9.75144 12.4274 6.58998 10.7114 6.72502 11.3767 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 9.49077 9.83618 13.5377 5.48048 10.0649 8.44903 13.0676 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 6.43774 7.2846 5.24762 4.71384 7.06308 6.34173 5.73693 6.06454 9.44459 5.94047 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 7.2846 6.43774 5.24762 4.71384 6.34173 7.06308 5.73693 9.44459 6.06454 5.94047 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 6.37648 12.5444 7.27383 9.17656 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 6.37648 12.5444 7.27383 10.8775 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 7.41074 8.70133 4.65521 8.26458 7.04044 8.73253 11.2505 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 14.8866 16.8706 8.85586 20.826 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 8.05119 12.4407 7.11 13.6371 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 6.19304 9.96396 5.4148 7.41074 4.65521 8.70133 8.26458 8.73253 7.04044 11.2505 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 14.8866 18.0011 8.85586 20.826 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 8.05119 12.0613 7.11 13.6371 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.47541 7.97049 6.9948 7.98917 7.22293 9.47876 6.37974 11.2808 7.1589 12.5072 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 6.19965 7.95579 4.26409 11.6116 9.47876 13.6587 5.08358 7.1589 8.00777 12.5072 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 11.6116 7.22293 13.6587 5.08358 11.2808 8.00777 12.5072 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 7.66905 6.19965 6.9948 11.6116 7.22293 9.47876 5.08358 11.2808 7.1589 12.5072 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 6.08806 10.9766 5.74857 15.4804 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 6.09023 9.66954 8.66155 6.4497 10.9734 5.72642 5.87507 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 6.4497 10.9734 5.72642 15.1897 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 7.21418 10.9766 5.74857 15.4804 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 6.11741 7.88312 7.69052 4.61908 9.66954 8.66155 7.3094 10.9734 5.72642 5.87507 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 7.3094 10.9734 5.72642 15.1897 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 6.19596 8.6243 12.5969 5.89022 8.71039 8.86329 8.15392 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 7.12972 6.85062 6.63273 6.19596 8.6243 6.91348 9.32969 6.92648 9.29384 6.01893 numMergedOcc 0
31 mol 131 unq 2 iso 0 dist 6.85062 8.40312 10.7062 6.19596 6.91348 12.5969 5.89022 11.6142 8.86329 8.15392 numMergedOcc 0
32 mol 131 unq 3 iso 0 dist 6.85062 8.40312 10.7062 6.6499 9.51418 13.6559 5.89022 11.6142 8.86329 11.6371 numMergedOcc 0
33 mol 131 unq 4 iso 0 dist 6.85062 7.12972 6.63273 6.19596 6.91348 8.6243 5.89022 11.6142 8.71039 8.15392 numMergedOcc 0
34 mol 131 unq 5 iso 0 dist 6.85062 7.12972 6.63273 6.19596 6.91348 8.6243 9.32969 9.29384 6.92648 6.01893 numMergedOcc 0
35 mol 131 unq 6 iso 0 dist 6.85062 7.12972 6.63273 6.6499 9.51418 12.9472 5.89022 11.6142 8.71039 11.6371 numMergedOcc 0
36 mol 131 unq 7 iso 0 dist 6.85062 7.12972 6.63273 6.6499 9.51418 12.9472 9.32969 9.29384 6.92648 15.1974 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 5.74088 10.5656 6.76699 12.72 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 6.49416 8.80819 5.41704 8.79571 8.6355 8.46636 13.9396 5.53031 11.9544 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 5.41704 5.42582 8.79571 9.4027 10.873 8.20836 9.65798 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 5.41704 5.42582 8.6355 8.46636 10.1537 5.53031 11.9544 numMergedOcc 0
41 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 5.41704 8.6355 8.79571 9.4027 13.846 8.20836 9.65798 numMergedOcc 0
42 mol 134 unq 4 iso 0 dist 9.71307 9.86662 5.49782 6.17103 5.42582 8.79571 5.12325 10.873 8.20836 9.65798 numMergedOcc 0
43 mol 142 unq 0 iso 0 dist 5.31024 9.2313 5.32922 9.49653 9.07935 7.15475 12.6057 12.432 9.17106 5.14959 numMergedOcc 0
44 mol 142 unq 1 iso 0 dist 7.26382 7.73169 5.32922 7.53854 9.07935 7.15475 8.38032 12.432 9.17106 5.14959 numMergedOcc 0
45 mol 152 unq 0 iso 0 dist 6.70283 5.87555 5.42328 8.25411 9.13561 12.4808 5.59336 10.4911 8.35555 10.7604 numMergedOcc 0
46 mol 152 unq 1 iso 0 dist 7.16148 8.87437 5.42328 7.89109 9.13561 12.4808 10.9728 10.4911 8.35555 10.7604 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 5.86342 6.94688 14.4632 5.93488 6.51749 7.20392 10.4684 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 9.14057 6.71012 15.4777 5.93488 6.51749 7.20392 12.69 numMergedOcc 0
49 mol 222 unq 0 iso 0 dist 7.54212 6.00706 6.8425 7.61682 7.18956 10.8957 6.42798 12.5287 7.862 11.8794 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 11.0628 8.38865 5.4694 5.92529 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 10.6244 16.0894 5.87815 16.7108 numMergedOcc 0
52 mol 227 unq 2 iso 0 dist 8.65997 7.22101 5.22356 14.6185 9.62609 13.4493 11.0628 5.4694 8.38865 5.23507 numMergedOcc 0
53 mol 227 unq 3 iso 0 dist 8.65997 7.22101 5.22356 6.43754 6.95902 8.17891 11.0628 5.4694 8.38865 5.92529 numMergedOcc 0
54 mol 227 unq 4 iso 0 dist 8.65997 7.55216 12.9332 14.6185 9.62609 19.8174 10.6244 17.8603 5.87815 24.5594 numMergedOcc 0
55 mol 227 unq 5 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 10.6244 17.8603 5.87815 16.7108 numMergedOcc 0
56 mol 227 unq 6 iso 0 dist 7.55216 7.22101 12.4689 11.662 8.83563 15.9414 11.0628 16.9219 8.38865 22.448 numMergedOcc 0
57 mol 227 unq 7 iso 0 dist 7.55216 8.65997 12.9332 11.662 8.83563 18.8667 11.0628 16.9219 5.4694 22.448 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 11.216 6.25105 7.85175 5.63086 8.24186 7.5366 13.0974 numMergedOcc 0
59 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 11.4315 6.25105 7.85175 5.6819 8.24186 7.5366 13.0974 numMergedOcc 0
60 mol 234 unq 2 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 5.63086 7.5366 8.24186 16.5499 numMergedOcc 0
61 mol 234 unq 3 iso 0 dist 9.45496 6.56247 5.88703 11.216 7.85175 6.25105 5.63086 7.5366 8.24186 13.0974 numMergedOcc 0
62 mol 234 unq 4 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 5.6819 7.5366 8.24186 16.5499 numMergedOcc 0
63 mol 234 unq 5 iso 0 dist 6.7625 9.36357 5.88703 11.4315 7.85175 6.25105 5.6819 7.5366 8.24186 13.0974 numMergedOcc 0
64 mol 236 unq 0 iso 0 dist 8.03456 9.81562 7.28249 11.8759 7.17676 5.34718 7.22918 11.9847 8.50331 11.6774 numMergedOcc 0
65 mol 236 unq 1 iso 0 dist 8.03456 9.81562 7.28249 9.07822 6.68463 10.5713 7.22918 11.9847 8.50331 12.482 numMergedOcc 0
66 mol 236 unq 2 iso 0 dist 6.84306 7.68742 7.28249 11.3552 7.17676 5.34718 9.05842 11.9847 8.50331 11.6774 numMergedOcc 0
67 mol 236 unq 3 iso 0 dist 6.84306 7.68742 7.28249 11.6837 6.68463 10.5713 9.05842 11.9847 8.50331 12.482 numMergedOcc 0
68 mol 236 unq 4 iso 0 dist 9.99038 6.27581 7.28249 6.04825 7.17676 5.34718 7.00028 11.9847 8.50331 11.6774 numMergedOcc 0
69 mol 236 unq 5 iso 0 dist 9.99038 6.27581 7.28249 8.8265 6.68463 10.5713 7.00028 11.9847 8.50331 12.482 numMergedOcc 0
70 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 10.1857 8.50864 11.9152 5.99459 6.17052 9.77666 6.53154 numMergedOcc 0
71 mol 252 unq 0 iso 0 dist 8.33025 7.19638 14.9102 9.37715 7.66365 14.7097 5.25252 12.322 6.86945 9.78431 numMergedOcc 0
72 mol 272 unq 0 iso 0 dist 8.33638 8.46116 5.40809 5.63139 6.73206 9.09992 13.5034 11.9971 9.19033 11.8912 numMergedOcc 0
