0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 10.4548 5.99459 6.88805 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.64855 15.5387 9.58196 11.3463 8.84686 5.76302 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 7.37356 7.426 9.51761 6.82841 5.65084 12.6536 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 7.37356 7.53082 7.3094 6.82841 5.65084 9.36767 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 4.54526 4.79873 10.2864 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.94828 14.2406 7.57578 16.0229 9.48085 5.18617 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.94828 15.6642 7.17969 4.54526 4.79873 11.4148 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.94828 15.6642 7.17969 16.0229 9.48085 5.68041 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 6.59001 6.66407 5.07458 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 6.69301 9.22598 9.87158 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 12.6194 7.12321 4.27726 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 12.6194 7.12321 7.47371 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 5.48831 13.0773 9.96708 10.6185 9.55118 5.69391 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 5.48831 13.0773 9.96708 4.89334 9.10345 13.4212 numMergedOcc 0
14 mol 72 unq 4 iso 0 dist 5.48831 10.5933 9.78528 10.6185 9.55118 9.78221 numMergedOcc 0
15 mol 72 unq 5 iso 0 dist 5.48831 10.5933 9.78528 4.89334 9.10345 11.6634 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 12.4753 8.27883 4.99174 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 6.86713 10.3731 9.03572 6.52247 5.75428 4.46005 numMergedOcc 0
18 mol 95 unq 2 iso 0 dist 6.86713 10.3731 9.03572 5.89506 8.57395 8.28518 numMergedOcc 0
19 mol 95 unq 3 iso 0 dist 6.86713 10.3731 9.03572 6.40728 9.85409 15.917 numMergedOcc 0
20 mol 95 unq 4 iso 0 dist 6.86713 7.4052 8.83255 12.4753 8.27883 8.67311 numMergedOcc 0
21 mol 95 unq 5 iso 0 dist 6.86713 7.4052 8.83255 6.52247 5.75428 3.94293 numMergedOcc 0
22 mol 95 unq 6 iso 0 dist 6.86713 7.4052 8.83255 5.89506 8.57395 9.22202 numMergedOcc 0
23 mol 95 unq 7 iso 0 dist 6.86713 7.4052 8.83255 6.40728 9.85409 13.7484 numMergedOcc 0
24 mol 95 unq 8 iso 0 dist 6.86713 9.70895 8.03644 12.4753 8.27883 15.6249 numMergedOcc 0
25 mol 95 unq 9 iso 0 dist 6.86713 9.70895 8.03644 6.52247 5.75428 12.4896 numMergedOcc 0
26 mol 95 unq 10 iso 0 dist 6.86713 9.70895 8.03644 5.89506 8.57395 14.2178 numMergedOcc 0
27 mol 95 unq 11 iso 0 dist 6.86713 9.70895 8.03644 6.40728 9.85409 8.78079 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 9.61812 11.5079 8.87449 17.6236 9.90751 9.72773 numMergedOcc 0
29 mol 100 unq 1 iso 0 dist 9.61812 11.5079 8.87449 17.5707 9.21662 9.39125 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 7.53887 7.07971 4.69373 numMergedOcc 0
31 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 7.83378 7.07971 4.69373 numMergedOcc 0
32 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 10.405 7.07971 4.69373 numMergedOcc 0
33 mol 112 unq 0 iso 0 dist 7.85583 4.38646 7.71338 10.864 8.47988 6.95317 numMergedOcc 0
34 mol 112 unq 1 iso 0 dist 7.85583 4.38646 7.71338 9.95307 8.0427 7.57713 numMergedOcc 0
35 mol 112 unq 2 iso 0 dist 8.86938 4.9102 7.71338 9.50897 8.47988 6.95317 numMergedOcc 0
36 mol 112 unq 3 iso 0 dist 8.86938 4.9102 7.71338 11.9673 8.0427 7.57713 numMergedOcc 0
37 mol 122 unq 0 iso 0 dist 8.47907 9.75696 8.37808 12.3287 6.00603 6.15636 numMergedOcc 0
38 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 6.30012 7.22643 6.9945 numMergedOcc 0
39 mol 133 unq 1 iso 0 dist 7.5055 5.61003 6.82262 6.30012 7.22643 4.19723 numMergedOcc 0
40 mol 133 unq 2 iso 0 dist 9.00172 13.2145 6.29155 7.44092 8.77023 13.0405 numMergedOcc 0
41 mol 133 unq 3 iso 0 dist 9.00172 15.719 6.80239 7.44092 8.77023 13.7612 numMergedOcc 0
42 mol 133 unq 4 iso 0 dist 9.00172 14.0905 8.00618 7.44092 8.77023 15.0115 numMergedOcc 0
43 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 14.2595 9.33924 6.95573 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 15.9796 7.93372 8.06642 numMergedOcc 0
45 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 14.2595 9.33924 10.2026 numMergedOcc 0
46 mol 134 unq 3 iso 0 dist 8.84656 16.7911 9.71307 15.9796 7.93372 4.00092 numMergedOcc 0
47 mol 134 unq 4 iso 0 dist 5.79157 13.0109 9.86662 4.72407 9.1998 12.8086 numMergedOcc 0
48 mol 134 unq 5 iso 0 dist 5.79157 13.0109 9.86662 7.97297 8.69531 7.41373 numMergedOcc 0
49 mol 134 unq 6 iso 0 dist 5.79157 14.1608 9.71307 4.72407 9.1998 15.0225 numMergedOcc 0
50 mol 134 unq 7 iso 0 dist 5.79157 14.1608 9.71307 7.97297 8.69531 10.8635 numMergedOcc 0
51 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 13.5413 7.81207 4.67662 numMergedOcc 0
52 mol 142 unq 1 iso 0 dist 8.86346 16.7609 9.2313 10.4327 7.18002 13.5913 numMergedOcc 0
53 mol 142 unq 2 iso 0 dist 8.86346 13.5268 7.73169 13.5413 7.81207 5.81599 numMergedOcc 0
54 mol 142 unq 3 iso 0 dist 8.86346 13.5268 7.73169 10.4327 7.18002 9.99555 numMergedOcc 0
55 mol 142 unq 4 iso 0 dist 8.86346 12.1759 8.96657 13.5413 7.81207 11.1 numMergedOcc 0
56 mol 142 unq 5 iso 0 dist 8.86346 12.1759 8.96657 10.4327 7.18002 6.52253 numMergedOcc 0
57 mol 142 unq 6 iso 0 dist 4.93681 12.8283 9.2313 9.85239 7.81207 4.67662 numMergedOcc 0
58 mol 142 unq 7 iso 0 dist 4.93681 12.8283 9.2313 8.64092 7.18002 13.5913 numMergedOcc 0
59 mol 142 unq 8 iso 0 dist 4.93681 10.1677 7.73169 9.85239 7.81207 5.81599 numMergedOcc 0
60 mol 142 unq 9 iso 0 dist 4.93681 10.1677 7.73169 8.64092 7.18002 9.99555 numMergedOcc 0
61 mol 142 unq 10 iso 0 dist 4.93681 10.0866 8.96657 9.85239 7.81207 11.1 numMergedOcc 0
62 mol 142 unq 11 iso 0 dist 4.93681 10.0866 8.96657 8.64092 7.18002 6.52253 numMergedOcc 0
63 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 4.33589 5.37047 4.78563 numMergedOcc 0
64 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 12.8554 9.11204 8.44333 numMergedOcc 0
65 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 12.8554 9.11204 6.8202 numMergedOcc 0
66 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 12.8554 9.11204 14.9499 numMergedOcc 0
67 mol 178 unq 3 iso 0 dist 8.04723 9.1499 8.81551 12.8554 9.11204 14.2467 numMergedOcc 0
68 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 8.69152 6.61112 11.0961 numMergedOcc 0
69 mol 205 unq 0 iso 0 dist 8.57514 5.56395 9.61492 12.7286 6.49765 10.6504 numMergedOcc 0
70 mol 205 unq 1 iso 0 dist 8.57514 12.397 7.45763 12.7286 6.49765 8.67921 numMergedOcc 0
71 mol 205 unq 2 iso 0 dist 6.11505 9.35174 9.61492 12.0822 6.49765 10.6504 numMergedOcc 0
72 mol 205 unq 3 iso 0 dist 6.11505 11.3225 7.45763 12.0822 6.49765 8.67921 numMergedOcc 0
73 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 8.96601 6.71524 5.10213 numMergedOcc 0
74 mol 238 unq 0 iso 0 dist 8.97461 10.4685 6.22714 17.3901 9.08509 12.7938 numMergedOcc 0
75 mol 238 unq 1 iso 0 dist 8.97461 11.6506 7.31233 17.3901 9.08509 11.0772 numMergedOcc 0
76 mol 243 unq 0 iso 0 dist 7.80612 9.62983 8.23192 11.091 7.10671 5.74165 numMergedOcc 0
77 mol 243 unq 1 iso 0 dist 7.80612 9.62983 8.23192 8.97902 8.67156 9.89868 numMergedOcc 0
78 mol 264 unq 0 iso 0 dist 6.65233 7.78423 9.17653 6.04707 8.29262 10.7813 numMergedOcc 0
79 mol 277 unq 0 iso 0 dist 7.23956 15.6875 9.7748 8.60807 9.35539 11.4555 numMergedOcc 0
80 mol 277 unq 1 iso 0 dist 7.23956 15.6875 9.7748 10.3171 8.9682 17.6038 numMergedOcc 0
81 mol 277 unq 2 iso 0 dist 7.23956 15.6875 9.7748 10.6814 6.92711 14.772 numMergedOcc 0
