0 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 8.4069 9.62879 13.3876 10.6335 12.4076 10.9634 17.5554 6.82379 10.9495 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 8.4069 9.62879 13.3876 10.6335 9.22548 12.9396 16.3913 6.24978 11.4134 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 8.4069 9.62879 13.3876 10.6335 7.96511 14.7769 16.2553 9.66439 10.4705 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 7.67038 8.4674 13.4721 10.1882 10.8007 9.78944 19.07 7.48847 7.83352 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 7.67038 8.4674 13.4721 10.1882 5.03957 7.82074 12.6444 6.36455 10.3915 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 5.03957 7.82074 12.6444 6.36455 10.8007 9.78944 19.07 7.48847 10.6598 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 7.67038 8.4674 14.6255 10.1882 10.8007 9.78944 14.2119 7.48847 7.83352 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 7.67038 8.4674 14.6255 10.1882 5.03957 7.82074 8.73972 6.36455 10.3915 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 5.03957 7.82074 8.73972 6.36455 10.8007 9.78944 14.2119 7.48847 10.6598 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 7.67038 8.4674 6.20943 10.1882 10.8007 9.78944 6.00439 7.48847 7.83352 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 7.67038 8.4674 6.20943 10.1882 5.03957 7.82074 10.2708 6.36455 10.3915 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 5.03957 7.82074 10.2708 6.36455 10.8007 9.78944 6.00439 7.48847 10.6598 numMergedOcc 0
12 mol 19 unq 9 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 10.3915 8.4674 14.6255 10.1882 10.6598 9.78944 14.2119 7.48847 7.83352 numMergedOcc 0
13 mol 19 unq 10 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 10.3915 8.4674 14.6255 10.1882 5.03957 4.54938 8.23643 6.92532 7.67038 numMergedOcc 0
14 mol 19 unq 11 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 5.03957 4.54938 8.23643 6.92532 10.6598 9.78944 14.2119 7.48847 10.8007 numMergedOcc 0
15 mol 19 unq 12 iso 0 dist 6.864 8.78293 11.4401 6.92532 9.47529 15.1136 7.67038 4.51865 13.4721 10.1882 10.8007 9.56313 19.07 7.48847 7.83352 numMergedOcc 0
16 mol 19 unq 13 iso 0 dist 6.864 8.78293 11.4401 6.92532 9.47529 15.1136 7.67038 4.51865 13.4721 10.1882 5.03957 11.0366 12.6444 6.36455 10.3915 numMergedOcc 0
17 mol 19 unq 14 iso 0 dist 6.864 8.23643 12.3093 6.92532 9.47529 6.87842 7.67038 4.51865 14.6255 10.1882 10.8007 9.56313 14.2119 7.48847 7.83352 numMergedOcc 0
18 mol 19 unq 15 iso 0 dist 6.864 8.23643 12.3093 6.92532 9.47529 6.87842 7.67038 4.51865 14.6255 10.1882 5.03957 11.0366 8.73972 6.36455 10.3915 numMergedOcc 0
19 mol 19 unq 16 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 7.67038 4.51865 6.20943 10.1882 10.8007 9.56313 6.00439 7.48847 7.83352 numMergedOcc 0
20 mol 19 unq 17 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 7.67038 4.51865 6.20943 10.1882 5.03957 11.0366 10.2708 6.36455 10.3915 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 7.04044 8.26458 11.2505 14.9342 8.70481 15.9587 10.3244 5.4148 6.19304 4.65521 8.73253 13.3558 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 13.3558 8.70481 15.9587 10.3244 5.4148 9.96396 8.70133 7.04044 14.9342 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 7.1589 6.37974 12.5072 6.9948 7.47541 7.22293 11.2808 4.26409 11.3023 13.6587 8.00777 10.7229 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 6.19965 9.47876 11.6116 7.1589 5.08358 12.5072 6.9948 7.66905 7.22293 11.2808 4.26409 7.95579 13.6587 8.00777 10.7229 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 8.71039 5.89022 8.15392 6.63273 6.85062 6.91348 11.6142 5.55373 8.40312 12.5969 8.86329 10.7062 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 5.55373 8.40312 12.5969 11.4206 7.58238 14.2958 14.1661 9.15431 9.85697 numMergedOcc 0
27 mol 131 unq 2 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 5.55373 8.40312 12.5969 11.4206 6.63273 6.85062 6.91348 9.29384 10.7062 numMergedOcc 0
28 mol 131 unq 3 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 6.63273 6.85062 6.91348 9.29384 7.58238 14.2958 14.1661 9.15431 13.2572 numMergedOcc 0
29 mol 131 unq 4 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 10.7062 8.40312 12.5969 11.4206 13.2572 14.2958 14.1661 9.15431 9.85697 numMergedOcc 0
30 mol 131 unq 5 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 10.7062 8.40312 12.5969 11.4206 6.63273 7.12972 8.6243 6.92648 5.55373 numMergedOcc 0
31 mol 131 unq 6 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 6.63273 7.12972 8.6243 6.92648 13.2572 14.2958 14.1661 9.15431 7.58238 numMergedOcc 0
32 mol 131 unq 7 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 10.7062 8.40312 13.6559 11.4206 13.2572 14.2958 20.4785 9.15431 9.85697 numMergedOcc 0
33 mol 131 unq 8 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 10.7062 8.40312 13.6559 11.4206 6.63273 7.12972 12.9472 6.92648 5.55373 numMergedOcc 0
34 mol 131 unq 9 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 6.63273 7.12972 12.9472 6.92648 13.2572 14.2958 20.4785 9.15431 7.58238 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 5.49782 6.37586 5.42582 10.873 5.62899 11.7385 13.0121 7.36779 10.7144 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 8.80819 6.49416 8.6355 13.846 5.62899 11.7385 13.0121 7.36779 12.8168 numMergedOcc 0
37 mol 134 unq 2 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 5.49782 9.71307 5.42582 10.873 5.62899 11.3835 13.0121 7.36779 10.7144 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.51749 13.8722 10.4684 13.2049 8.03334 12.1309 15.2991 10.1912 15.0228 14.4632 7.20392 12.8522 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 6.51749 13.8722 12.69 13.2049 8.03334 12.2058 15.2991 10.1912 15.0228 15.4777 7.20392 12.8522 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 6.99063 9.34734 12.4085 12.9778 5.22356 8.65997 6.95902 5.4694 7.60506 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 10.8658 7.56888 11.004 13.9676 5.22356 8.65997 6.95902 5.4694 9.70012 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 12.4689 7.55216 12.8864 16.9219 5.22356 8.65997 6.95902 5.4694 12.9332 numMergedOcc 0
43 mol 227 unq 3 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 7.60506 9.34734 17.0949 12.9778 5.22356 7.22101 13.4493 8.38865 6.99063 numMergedOcc 0
44 mol 227 unq 4 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 9.70012 7.56888 16.5207 13.9676 5.22356 7.22101 13.4493 8.38865 10.8658 numMergedOcc 0
45 mol 227 unq 5 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 12.9332 7.55216 19.8174 16.9219 5.22356 7.22101 13.4493 8.38865 12.4689 numMergedOcc 0
46 mol 227 unq 6 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 7.60506 9.34734 12.4085 12.9778 5.22356 7.22101 8.17891 8.38865 6.99063 numMergedOcc 0
47 mol 227 unq 7 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 9.70012 7.56888 11.004 13.9676 5.22356 7.22101 8.17891 8.38865 10.8658 numMergedOcc 0
48 mol 227 unq 8 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 12.9332 7.55216 12.8864 16.9219 5.22356 7.22101 8.17891 8.38865 12.4689 numMergedOcc 0
49 mol 234 unq 0 iso 0 dist 6.56247 6.25105 11.216 8.24186 5.63086 13.0974 5.88703 9.45496 7.85175 7.5366 8.59858 9.45579 14.5666 7.56091 9.82284 numMergedOcc 0
50 mol 234 unq 1 iso 0 dist 9.36357 6.25105 11.4315 8.24186 5.6819 13.0974 5.88703 6.7625 7.85175 7.5366 8.59858 12.4862 14.5666 7.56091 9.82284 numMergedOcc 0
51 mol 234 unq 2 iso 0 dist 9.45496 9.5707 15.9563 7.5366 5.63086 16.5499 5.88703 6.56247 10.3388 8.24186 9.82284 9.45579 17.3705 7.56091 8.59858 numMergedOcc 0
52 mol 234 unq 3 iso 0 dist 9.45496 7.85175 11.216 7.5366 5.63086 13.0974 5.88703 6.56247 6.25105 8.24186 9.82284 9.45579 14.5666 7.56091 8.59858 numMergedOcc 0
53 mol 234 unq 4 iso 0 dist 6.7625 9.5707 14.4106 7.5366 5.6819 16.5499 5.88703 9.36357 10.3388 8.24186 9.82284 12.4862 17.3705 7.56091 8.59858 numMergedOcc 0
54 mol 234 unq 5 iso 0 dist 6.7625 7.85175 11.4315 7.5366 5.6819 13.0974 5.88703 9.36357 6.25105 8.24186 9.82284 12.4862 14.5666 7.56091 8.59858 numMergedOcc 0
55 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 6.17052 5.99459 6.53154 10.8081 8.2965 14.4409 13.0539 5.55137 7.21521 11.9152 9.77666 5.86196 numMergedOcc 0
