0 mol 1 unq 0 iso 0 dist 9.00903 8.56884 9.01967 6.09918 7.94662 8.78328 5.92202 14.3332 11.9816 8.26708 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 12.4076 10.9634 17.5554 6.82379 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 9.22548 12.9396 16.3913 6.24978 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 7.96511 14.7769 16.2553 9.66439 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 6.92532 12.3486 15.1136 10.8007 15.679 19.07 7.48847 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 7.20519 8.78293 5.31524 6.92532 12.3486 15.1136 5.03957 12.1187 12.6444 6.36455 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 7.20519 8.23643 11.0832 6.92532 12.3486 6.87842 10.8007 15.679 14.2119 7.48847 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 7.20519 8.23643 11.0832 6.92532 12.3486 6.87842 5.03957 12.1187 8.73972 6.36455 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 7.20519 7.82528 10.4988 6.92532 12.3486 6.34272 10.8007 15.679 6.00439 7.48847 numMergedOcc 0
9 mol 19 unq 5 iso 0 dist 7.20519 7.82528 10.4988 6.92532 12.3486 6.34272 5.03957 12.1187 10.2708 6.36455 numMergedOcc 0
10 mol 19 unq 6 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 10.8007 9.78944 19.07 7.48847 numMergedOcc 0
11 mol 19 unq 7 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 5.03957 7.82074 12.6444 6.36455 numMergedOcc 0
12 mol 19 unq 8 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 10.8007 9.78944 14.2119 7.48847 numMergedOcc 0
13 mol 19 unq 9 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 5.03957 7.82074 8.73972 6.36455 numMergedOcc 0
14 mol 19 unq 10 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 10.8007 9.78944 6.00439 7.48847 numMergedOcc 0
15 mol 19 unq 11 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 5.03957 7.82074 10.2708 6.36455 numMergedOcc 0
16 mol 19 unq 12 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 10.6598 9.78944 14.2119 7.48847 numMergedOcc 0
17 mol 19 unq 13 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 5.03957 4.54938 8.23643 6.92532 numMergedOcc 0
18 mol 19 unq 14 iso 0 dist 6.864 8.78293 11.4401 6.92532 9.47529 15.1136 10.8007 9.56313 19.07 7.48847 numMergedOcc 0
19 mol 19 unq 15 iso 0 dist 6.864 8.78293 11.4401 6.92532 9.47529 15.1136 5.03957 11.0366 12.6444 6.36455 numMergedOcc 0
20 mol 19 unq 16 iso 0 dist 6.864 8.23643 12.3093 6.92532 9.47529 6.87842 10.8007 9.56313 14.2119 7.48847 numMergedOcc 0
21 mol 19 unq 17 iso 0 dist 6.864 8.23643 12.3093 6.92532 9.47529 6.87842 5.03957 11.0366 8.73972 6.36455 numMergedOcc 0
22 mol 19 unq 18 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 10.8007 9.56313 6.00439 7.48847 numMergedOcc 0
23 mol 19 unq 19 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 5.03957 11.0366 10.2708 6.36455 numMergedOcc 0
24 mol 25 unq 0 iso 0 dist 7.31767 7.685 8.43188 5.81959 7.63409 9.96732 10.6808 12.4135 16.7035 6.90155 numMergedOcc 0
25 mol 25 unq 1 iso 0 dist 6.03987 7.685 10.3635 5.81959 8.4666 9.96732 10.6808 11.6743 16.7035 6.90155 numMergedOcc 0
26 mol 26 unq 0 iso 0 dist 8.34347 9.16962 11.887 5.69955 10.6756 4.80984 9.78225 17.7357 10.9838 8.6385 numMergedOcc 0
27 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 6.06454 5.73693 5.94047 5.24762 7.2846 6.34173 9.44459 numMergedOcc 0
28 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 9.44459 5.73693 5.94047 5.24762 6.43774 7.06308 6.06454 numMergedOcc 0
29 mol 45 unq 2 iso 0 dist 7.58835 6.34173 5.67689 9.44459 11.6164 5.94047 5.24762 11.2563 7.06308 6.06454 numMergedOcc 0
30 mol 70 unq 0 iso 0 dist 9.65964 7.92394 6.65811 6.54023 9.03317 11.6542 5.22626 10.1773 8.33704 9.31969 numMergedOcc 0
31 mol 70 unq 1 iso 0 dist 9.65964 9.93423 5.47516 6.54023 9.03317 11.7156 5.22626 10.1773 11.6205 9.31969 numMergedOcc 0
32 mol 70 unq 2 iso 0 dist 9.65964 9.34122 11.0952 6.54023 9.03317 4.95817 5.22626 10.1773 13.4942 9.31969 numMergedOcc 0
33 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 7.04044 15.7304 11.2505 5.4148 10.2049 4.65521 8.73253 numMergedOcc 0
34 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 7.04044 8.26458 11.2505 5.4148 6.19304 4.65521 8.73253 numMergedOcc 0
35 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 5.4148 9.96396 8.70133 7.04044 numMergedOcc 0
36 mol 73 unq 3 iso 0 dist 9.75218 8.70133 15.9882 7.04044 8.35241 11.2505 5.4148 11.6369 4.65521 8.73253 numMergedOcc 0
37 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 7.1589 6.37974 12.5072 4.26409 11.3023 13.6587 8.00777 numMergedOcc 0
38 mol 85 unq 1 iso 0 dist 6.19965 9.47876 11.6116 7.1589 5.08358 12.5072 4.26409 7.95579 13.6587 8.00777 numMergedOcc 0
39 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 5.34214 9.14441 5.94311 4.98336 13.4572 9.20981 7.55384 numMergedOcc 0
40 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 8.71039 5.89022 8.15392 5.55373 8.40312 12.5969 8.86329 numMergedOcc 0
41 mol 131 unq 1 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 7.58238 14.2958 14.1661 9.15431 numMergedOcc 0
42 mol 131 unq 2 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 6.63273 6.85062 6.91348 9.29384 numMergedOcc 0
43 mol 131 unq 3 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 13.2572 14.2958 14.1661 9.15431 numMergedOcc 0
44 mol 131 unq 4 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 6.63273 7.12972 8.6243 6.92648 numMergedOcc 0
45 mol 131 unq 5 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 13.2572 14.2958 20.4785 9.15431 numMergedOcc 0
46 mol 131 unq 6 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 6.63273 7.12972 12.9472 6.92648 numMergedOcc 0
47 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 5.62899 11.7385 13.0121 7.36779 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 5.62899 11.3835 13.0121 7.36779 numMergedOcc 0
49 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.51749 13.8722 10.4684 10.1912 15.0228 14.4632 7.20392 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 6.51749 13.8722 12.69 10.1912 15.0228 15.4777 7.20392 numMergedOcc 0
51 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 6.51749 5.93488 10.4684 10.1912 9.09537 14.4632 7.20392 numMergedOcc 0
52 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 6.51749 5.93488 12.69 10.1912 9.09537 15.4777 7.20392 numMergedOcc 0
53 mol 181 unq 4 iso 0 dist 9.15386 6.94688 6.80228 6.51749 7.64267 10.4684 10.1912 12.9862 14.4632 7.20392 numMergedOcc 0
54 mol 181 unq 5 iso 0 dist 9.15386 6.71012 11.6919 6.51749 7.64267 12.69 10.1912 12.9862 15.4777 7.20392 numMergedOcc 0
55 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 5.22356 8.65997 6.95902 5.4694 numMergedOcc 0
56 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 5.22356 7.22101 13.4493 8.38865 numMergedOcc 0
57 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 5.22356 7.22101 8.17891 8.38865 numMergedOcc 0
58 mol 227 unq 3 iso 0 dist 7.09863 8.17891 9.13836 8.38865 12.9587 5.92529 5.22356 10.8157 6.95902 5.4694 numMergedOcc 0
59 mol 234 unq 0 iso 0 dist 8.34494 6.25105 10.3337 8.24186 11.7705 13.0974 8.59858 14.186 14.5666 7.56091 numMergedOcc 0
60 mol 234 unq 1 iso 0 dist 8.34494 6.25105 10.3337 8.24186 11.7705 13.0974 5.88703 12.9605 7.85175 7.5366 numMergedOcc 0
61 mol 234 unq 2 iso 0 dist 6.56247 6.25105 11.216 8.24186 5.63086 13.0974 8.59858 9.45579 14.5666 7.56091 numMergedOcc 0
62 mol 234 unq 3 iso 0 dist 6.56247 6.25105 11.216 8.24186 5.63086 13.0974 5.88703 9.45496 7.85175 7.5366 numMergedOcc 0
63 mol 234 unq 4 iso 0 dist 9.36357 6.25105 11.4315 8.24186 5.6819 13.0974 8.59858 12.4862 14.5666 7.56091 numMergedOcc 0
64 mol 234 unq 5 iso 0 dist 9.36357 6.25105 11.4315 8.24186 5.6819 13.0974 5.88703 6.7625 7.85175 7.5366 numMergedOcc 0
65 mol 234 unq 6 iso 0 dist 9.45496 9.5707 15.9563 7.5366 5.63086 16.5499 9.82284 9.45579 17.3705 7.56091 numMergedOcc 0
66 mol 234 unq 7 iso 0 dist 9.45496 9.5707 15.9563 7.5366 5.63086 16.5499 5.88703 6.56247 10.3388 8.24186 numMergedOcc 0
67 mol 234 unq 8 iso 0 dist 9.45496 7.85175 11.216 7.5366 5.63086 13.0974 9.82284 9.45579 14.5666 7.56091 numMergedOcc 0
68 mol 234 unq 9 iso 0 dist 9.45496 7.85175 11.216 7.5366 5.63086 13.0974 5.88703 6.56247 6.25105 8.24186 numMergedOcc 0
69 mol 234 unq 10 iso 0 dist 6.7625 9.5707 14.4106 7.5366 5.6819 16.5499 9.82284 12.4862 17.3705 7.56091 numMergedOcc 0
70 mol 234 unq 11 iso 0 dist 6.7625 9.5707 14.4106 7.5366 5.6819 16.5499 5.88703 9.36357 10.3388 8.24186 numMergedOcc 0
71 mol 234 unq 12 iso 0 dist 6.7625 7.85175 11.4315 7.5366 5.6819 13.0974 9.82284 12.4862 14.5666 7.56091 numMergedOcc 0
72 mol 234 unq 13 iso 0 dist 6.7625 7.85175 11.4315 7.5366 5.6819 13.0974 5.88703 9.36357 6.25105 8.24186 numMergedOcc 0
73 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 7.32982 12.3808 6.48619 10.0191 13.5431 12.5477 6.66971 numMergedOcc 0
74 mol 238 unq 1 iso 0 dist 5.72887 9.29858 13.069 7.32982 12.3808 6.48619 10.1648 12.8711 9.68513 6.4398 numMergedOcc 0
75 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 6.17052 5.99459 6.53154 5.55137 7.21521 11.9152 9.77666 numMergedOcc 0
76 mol 259 unq 0 iso 0 dist 5.30224 6.77938 4.99891 8.59697 7.31951 12.1218 9.98105 11.858 14.5785 8.55558 numMergedOcc 0
77 mol 259 unq 1 iso 0 dist 5.30224 7.76676 5.32839 8.59697 7.31951 9.22203 9.98105 11.858 10.4634 8.55558 numMergedOcc 0
