0 mol 8 unq 0 iso 0 dist 8.68949 8.89145 13.2274 6.92865 8.33226 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 8.68949 6.92865 8.33226 8.89145 13.2274 8.02605 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.5937 6.53817 10.1064 9.81769 11.3627 5.14154 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 9.5937 9.81769 11.3627 6.53817 10.1064 5.14154 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 7.34681 6.53817 13.5023 9.81769 15.703 5.14154 numMergedOcc 0
5 mol 17 unq 1 iso 1 dist 7.34681 9.81769 15.703 6.53817 13.5023 5.14154 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.75001 7.78708 5.18509 7.84393 12.48 8.01051 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 8.75001 7.84393 12.48 7.78708 5.18509 8.01051 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.22152 5.87895 6.7228 9.57974 6.62926 4.87334 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 9.22152 9.57974 6.62926 5.87895 6.7228 4.87334 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 7.02352 6.15294 9.21892 numMergedOcc 0
11 mol 64 unq 0 iso 1 dist 8.86433 7.02352 6.15294 9.10915 14.8927 9.21892 numMergedOcc 0
12 mol 67 unq 0 iso 0 dist 8.27009 7.9572 10.6864 8.64208 13.0612 7.99329 numMergedOcc 0
13 mol 67 unq 0 iso 1 dist 8.27009 8.64208 13.0612 7.9572 10.6864 7.99329 numMergedOcc 0
14 mol 67 unq 1 iso 0 dist 5.80736 7.9572 6.3173 8.64208 11.8891 7.99329 numMergedOcc 0
15 mol 67 unq 1 iso 1 dist 5.80736 8.64208 11.8891 7.9572 6.3173 7.99329 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 7.03224 9.68285 5.59952 8.31114 4.33228 5.93342 numMergedOcc 0
17 mol 69 unq 0 iso 1 dist 7.03224 8.31114 4.33228 9.68285 5.59952 5.93342 numMergedOcc 0
18 mol 69 unq 1 iso 0 dist 8.70964 8.24121 6.57301 8.52371 10.2661 10.149 numMergedOcc 0
19 mol 69 unq 1 iso 1 dist 8.70964 8.52371 10.2661 8.24121 6.57301 10.149 numMergedOcc 0
20 mol 69 unq 2 iso 0 dist 8.70964 8.24121 6.57301 6.8198 8.09841 12.0119 numMergedOcc 0
21 mol 69 unq 2 iso 1 dist 8.70964 6.8198 8.09841 8.24121 6.57301 12.0119 numMergedOcc 0
22 mol 69 unq 2 iso 0 dist 8.70964 8.52371 10.2661 6.8198 8.09841 9.16015 numMergedOcc 0
23 mol 69 unq 2 iso 1 dist 8.70964 6.8198 8.09841 8.52371 10.2661 9.16015 numMergedOcc 0
24 mol 71 unq 0 iso 0 dist 8.92529 8.21553 6.10737 8.22762 6.78097 7.16971 numMergedOcc 0
25 mol 71 unq 0 iso 1 dist 8.92529 8.22762 6.78097 8.21553 6.10737 7.16971 numMergedOcc 0
26 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 8.91602 11.2095 7.40574 numMergedOcc 0
27 mol 87 unq 0 iso 1 dist 9.90256 8.91602 11.2095 5.26938 5.30415 7.40574 numMergedOcc 0
28 mol 87 unq 1 iso 0 dist 5.62336 9.1329 5.507 9.33217 5.76272 10.5639 numMergedOcc 0
29 mol 87 unq 1 iso 1 dist 5.62336 9.33217 5.76272 9.1329 5.507 10.5639 numMergedOcc 0
30 mol 87 unq 2 iso 0 dist 5.62336 9.1329 5.507 9.03114 7.26523 7.40574 numMergedOcc 0
31 mol 87 unq 2 iso 1 dist 5.62336 9.03114 7.26523 9.1329 5.507 7.40574 numMergedOcc 0
32 mol 87 unq 2 iso 0 dist 5.62336 9.33217 5.76272 9.03114 7.26523 11.1798 numMergedOcc 0
33 mol 87 unq 2 iso 1 dist 5.62336 9.03114 7.26523 9.33217 5.76272 11.1798 numMergedOcc 0
34 mol 87 unq 3 iso 0 dist 5.63748 5.26938 5.507 8.91602 7.26523 7.40574 numMergedOcc 0
35 mol 87 unq 3 iso 1 dist 5.63748 8.91602 7.26523 5.26938 5.507 7.40574 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 9.41083 6.20658 4.45342 7.83568 11.8582 10.2788 numMergedOcc 0
37 mol 115 unq 0 iso 1 dist 9.41083 7.83568 11.8582 6.20658 4.45342 10.2788 numMergedOcc 0
38 mol 127 unq 0 iso 0 dist 5.83719 6.65963 4.98711 8.62711 11.2447 7.30196 numMergedOcc 0
39 mol 127 unq 0 iso 1 dist 5.83719 8.62711 11.2447 6.65963 4.98711 7.30196 numMergedOcc 0
40 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 9.43748 4.50065 4.35917 numMergedOcc 0
41 mol 132 unq 0 iso 1 dist 6.94745 9.43748 4.50065 6.495 5.28089 4.35917 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 7.29796 13.2427 6.89336 numMergedOcc 0
43 mol 220 unq 0 iso 1 dist 6.39087 7.29796 13.2427 7.30244 12.2765 6.89336 numMergedOcc 0
44 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 7.34316 8.64175 12.3422 numMergedOcc 0
45 mol 223 unq 0 iso 1 dist 6.97426 7.34316 8.64175 9.94212 15.9255 12.3422 numMergedOcc 0
46 mol 223 unq 1 iso 0 dist 8.87456 9.94212 17.7343 7.34316 12.9895 12.3422 numMergedOcc 0
47 mol 223 unq 1 iso 1 dist 8.87456 7.34316 12.9895 9.94212 17.7343 12.3422 numMergedOcc 0
48 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 6.36941 7.45579 7.28249 numMergedOcc 0
49 mol 236 unq 0 iso 1 dist 8.63249 6.36941 7.45579 9.97357 13.6195 7.28249 numMergedOcc 0
50 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 9.30995 4.4564 4.28414 numMergedOcc 0
51 mol 240 unq 0 iso 1 dist 7.19218 9.30995 4.4564 6.83069 5.36005 4.28414 numMergedOcc 0
52 mol 258 unq 0 iso 0 dist 8.10903 9.67877 13.3533 8.81059 5.90131 17.2075 numMergedOcc 0
53 mol 258 unq 0 iso 1 dist 8.10903 8.81059 5.90131 9.67877 13.3533 17.2075 numMergedOcc 0
54 mol 258 unq 1 iso 0 dist 8.10903 9.67877 13.3533 9.12006 9.68064 18.4031 numMergedOcc 0
55 mol 258 unq 1 iso 1 dist 8.10903 9.12006 9.68064 9.67877 13.3533 18.4031 numMergedOcc 0
56 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 9.12006 9.68064 5.30627 numMergedOcc 0
57 mol 258 unq 1 iso 1 dist 8.10903 9.12006 9.68064 8.81059 5.90131 5.30627 numMergedOcc 0
58 mol 258 unq 2 iso 0 dist 8.70193 7.9357 4.51422 5.79537 4.99997 5.30627 numMergedOcc 0
59 mol 258 unq 2 iso 1 dist 8.70193 5.79537 4.99997 7.9357 4.51422 5.30627 numMergedOcc 0
60 mol 258 unq 3 iso 0 dist 7.25618 9.67877 15.0574 8.81059 4.51422 17.2075 numMergedOcc 0
61 mol 258 unq 3 iso 1 dist 7.25618 8.81059 4.51422 9.67877 15.0574 17.2075 numMergedOcc 0
62 mol 258 unq 4 iso 0 dist 7.25618 9.67877 15.0574 9.12006 4.99997 18.4031 numMergedOcc 0
63 mol 258 unq 4 iso 1 dist 7.25618 9.12006 4.99997 9.67877 15.0574 18.4031 numMergedOcc 0
64 mol 258 unq 4 iso 0 dist 7.25618 8.81059 4.51422 9.12006 4.99997 5.30627 numMergedOcc 0
65 mol 258 unq 4 iso 1 dist 7.25618 9.12006 4.99997 8.81059 4.51422 5.30627 numMergedOcc 0
66 mol 261 unq 0 iso 0 dist 8.88741 7.15785 6.43209 9.43169 7.78464 5.51688 numMergedOcc 0
67 mol 261 unq 0 iso 1 dist 8.88741 9.43169 7.78464 7.15785 6.43209 5.51688 numMergedOcc 0
68 mol 276 unq 0 iso 0 dist 9.87655 8.95876 11.5806 8.259 6.7181 8.61035 numMergedOcc 0
69 mol 276 unq 0 iso 1 dist 9.87655 8.259 6.7181 8.95876 11.5806 8.61035 numMergedOcc 0
70 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 8.35794 7.94155 5.59609 numMergedOcc 0
71 mol 277 unq 0 iso 1 dist 8.15119 8.35794 7.94155 9.84188 10.2486 5.59609 numMergedOcc 0
72 mol 284 unq 0 iso 0 dist 7.66585 7.35866 7.26724 7.32482 5.44847 5.87439 numMergedOcc 0
73 mol 284 unq 0 iso 1 dist 7.66585 7.32482 5.44847 7.35866 7.26724 5.87439 numMergedOcc 0
74 mol 284 unq 1 iso 0 dist 7.74965 8.08993 4.76222 7.34344 13.4636 13.5089 numMergedOcc 0
75 mol 284 unq 1 iso 1 dist 7.74965 7.34344 13.4636 8.08993 4.76222 13.5089 numMergedOcc 0
