0 mol 26 unq 0 iso 0 dist 8.06929 4.76147 5.69955 12.2574 8.6385 9.78225 13.5746 7.61055 9.87119 4.74747 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.06929 12.2574 8.6385 4.76147 5.69955 9.78225 13.5746 7.61055 4.74747 9.87119 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.58514 5.93227 5.69955 12.8213 8.6385 9.78225 10.7796 7.61055 9.87119 4.74747 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 8.58514 12.8213 8.6385 5.93227 5.69955 9.78225 10.7796 7.61055 4.74747 9.87119 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.46327 12.3373 9.81831 11.6592 9.12858 6.30447 4.55399 7.85041 8.58164 9.67788 numMergedOcc 0
5 mol 93 unq 0 iso 1 dist 7.46327 11.6592 9.12858 12.3373 9.81831 6.30447 4.55399 7.85041 9.67788 8.58164 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.46327 12.3373 9.81831 6.09816 9.4523 9.91939 4.55399 7.85041 8.58164 5.33106 numMergedOcc 0
7 mol 93 unq 1 iso 1 dist 7.46327 6.09816 9.4523 12.3373 9.81831 9.91939 4.55399 7.85041 5.33106 8.58164 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.46327 11.6592 9.12858 6.09816 9.4523 7.66728 4.55399 7.85041 9.67788 5.33106 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 7.46327 6.09816 9.4523 11.6592 9.12858 7.66728 4.55399 7.85041 5.33106 9.67788 numMergedOcc 0
10 mol 94 unq 0 iso 0 dist 9.43351 4.28796 8.16733 6.14092 9.97569 7.49897 8.59595 5.18655 8.20144 11.997 numMergedOcc 0
11 mol 94 unq 0 iso 1 dist 9.43351 6.14092 9.97569 4.28796 8.16733 7.49897 8.59595 5.18655 11.997 8.20144 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.60646 8.07266 5.49226 5.83569 6.28351 7.15222 12.0852 5.1101 5.08802 8.59354 numMergedOcc 0
13 mol 147 unq 0 iso 1 dist 9.60646 5.83569 6.28351 8.07266 5.49226 7.15222 12.0852 5.1101 8.59354 5.08802 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 9.60646 8.07266 5.49226 5.83569 6.28351 7.15222 14.0758 7.01133 10.1972 8.54341 numMergedOcc 0
15 mol 147 unq 1 iso 1 dist 9.60646 5.83569 6.28351 8.07266 5.49226 7.15222 14.0758 7.01133 8.54341 10.1972 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 9.96728 7.24106 6.60567 12.7239 7.62942 10.7531 12.5054 9.79691 13.6975 6.08211 numMergedOcc 0
17 mol 195 unq 0 iso 1 dist 9.96728 12.7239 7.62942 7.24106 6.60567 10.7531 12.5054 9.79691 6.08211 13.6975 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 7.44979 10.4409 8.0144 11.4774 7.80841 11.117 9.30421 8.50907 14.8202 7.0418 numMergedOcc 0
19 mol 204 unq 0 iso 1 dist 7.44979 11.4774 7.80841 10.4409 8.0144 11.117 9.30421 8.50907 7.0418 14.8202 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 9.4236 6.10425 8.0144 7.34669 7.80841 11.117 12.9408 8.50907 14.8202 7.0418 numMergedOcc 0
21 mol 204 unq 1 iso 1 dist 9.4236 7.34669 7.80841 6.10425 8.0144 11.117 12.9408 8.50907 7.0418 14.8202 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 7.84953 6.66456 6.29367 5.09263 5.76954 4.72474 10.2089 6.86795 6.05563 9.68444 numMergedOcc 0
23 mol 218 unq 0 iso 1 dist 7.84953 5.09263 5.76954 6.66456 6.29367 4.72474 10.2089 6.86795 9.68444 6.05563 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 7.84953 6.66456 6.29367 5.09263 5.76954 4.72474 4.40481 6.61099 8.36122 7.47048 numMergedOcc 0
25 mol 218 unq 1 iso 1 dist 7.84953 5.09263 5.76954 6.66456 6.29367 4.72474 4.40481 6.61099 7.47048 8.36122 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 7.84953 6.66456 6.29367 10.1782 9.20961 6.17651 10.2089 6.86795 6.05563 11.4148 numMergedOcc 0
27 mol 218 unq 2 iso 1 dist 7.84953 10.1782 9.20961 6.66456 6.29367 6.17651 10.2089 6.86795 11.4148 6.05563 numMergedOcc 0
28 mol 218 unq 3 iso 0 dist 7.84953 6.66456 6.29367 10.1782 9.20961 6.17651 4.40481 6.61099 8.36122 12.7963 numMergedOcc 0
29 mol 218 unq 3 iso 1 dist 7.84953 10.1782 9.20961 6.66456 6.29367 6.17651 4.40481 6.61099 12.7963 8.36122 numMergedOcc 0
30 mol 218 unq 2 iso 0 dist 7.84953 5.09263 5.76954 10.1782 9.20961 5.61978 10.2089 6.86795 9.68444 11.4148 numMergedOcc 0
31 mol 218 unq 2 iso 1 dist 7.84953 10.1782 9.20961 5.09263 5.76954 5.61978 10.2089 6.86795 11.4148 9.68444 numMergedOcc 0
32 mol 218 unq 3 iso 0 dist 7.84953 5.09263 5.76954 10.1782 9.20961 5.61978 4.40481 6.61099 7.47048 12.7963 numMergedOcc 0
33 mol 218 unq 3 iso 1 dist 7.84953 10.1782 9.20961 5.09263 5.76954 5.61978 4.40481 6.61099 12.7963 7.47048 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 8.24118 10.2134 6.66971 12.8163 6.4398 5.40359 4.40826 9.42618 13.0842 15.3074 numMergedOcc 0
35 mol 238 unq 0 iso 1 dist 8.24118 12.8163 6.4398 10.2134 6.66971 5.40359 4.40826 9.42618 15.3074 13.0842 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 8.24118 10.2134 6.66971 5.88384 7.32982 10.0191 4.40826 9.42618 13.0842 8.85181 numMergedOcc 0
37 mol 238 unq 1 iso 1 dist 8.24118 5.88384 7.32982 10.2134 6.66971 10.0191 4.40826 9.42618 8.85181 13.0842 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 8.24118 12.8163 6.4398 5.88384 7.32982 10.1648 4.40826 9.42618 15.3074 8.85181 numMergedOcc 0
39 mol 238 unq 1 iso 1 dist 8.24118 5.88384 7.32982 12.8163 6.4398 10.1648 4.40826 9.42618 8.85181 15.3074 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 9.08573 5.37535 5.64181 4.14233 7.61393 6.85126 13.6191 8.6597 10.4664 13.3539 numMergedOcc 0
41 mol 238 unq 2 iso 1 dist 9.08573 4.14233 7.61393 5.37535 5.64181 6.85126 13.6191 8.6597 13.3539 10.4664 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 9.08573 5.37535 5.64181 4.14233 7.61393 6.85126 15.696 7.47235 11.2717 14.7509 numMergedOcc 0
43 mol 238 unq 3 iso 1 dist 9.08573 4.14233 7.61393 5.37535 5.64181 6.85126 15.696 7.47235 14.7509 11.2717 numMergedOcc 0
44 mol 238 unq 4 iso 0 dist 9.08573 5.37535 5.64181 4.14233 7.61393 6.85126 10.0858 6.44735 5.17471 10.7999 numMergedOcc 0
45 mol 238 unq 4 iso 1 dist 9.08573 4.14233 7.61393 5.37535 5.64181 6.85126 10.0858 6.44735 10.7999 5.17471 numMergedOcc 0
46 mol 238 unq 5 iso 0 dist 9.08573 5.37535 5.64181 4.14233 7.61393 6.85126 6.29509 5.91208 5.03393 5.49433 numMergedOcc 0
47 mol 238 unq 5 iso 1 dist 9.08573 4.14233 7.61393 5.37535 5.64181 6.85126 6.29509 5.91208 5.49433 5.03393 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 9.70241 4.627 6.57903 5.01996 9.65707 6.59123 10.4764 7.25677 9.92201 7.29899 numMergedOcc 0
49 mol 277 unq 0 iso 1 dist 9.70241 5.01996 9.65707 4.627 6.57903 6.59123 10.4764 7.25677 7.29899 9.92201 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 8.31175 9.86167 8.29305 9.59818 6.43341 6.67478 5.06556 8.23056 5.3373 7.18967 numMergedOcc 0
51 mol 279 unq 0 iso 1 dist 8.31175 9.59818 6.43341 9.86167 8.29305 6.67478 5.06556 8.23056 7.18967 5.3373 numMergedOcc 0
