0 mol 53 unq 0 iso 0 dist 9.99188 10.2062 7.09169 11.1037 4.75776 8.19773 10.0665 7.75295 5.09224 5.68983 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 7.01303 4.76162 8.86674 9.92624 8.48184 6.89636 5.6019 7.39179 9.66102 13.3326 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 7.01303 4.76162 8.86674 7.6296 9.01011 6.09514 5.6019 7.39179 9.66102 9.01596 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 7.46327 12.3373 9.81831 8.69953 5.51624 11.6865 10.4036 7.62611 4.4022 11.4196 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 7.46327 12.3373 9.81831 8.48621 7.8674 12.2598 10.4036 7.62611 4.4022 8.05783 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 7.46327 11.6592 9.12858 8.69953 5.51624 7.64463 10.4036 7.62611 8.96224 11.4196 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 7.46327 11.6592 9.12858 8.48621 7.8674 14.8533 10.4036 7.62611 8.96224 8.05783 numMergedOcc 0
7 mol 93 unq 4 iso 0 dist 7.46327 6.09816 9.4523 8.69953 5.51624 8.29171 10.4036 7.62611 10.3849 11.4196 numMergedOcc 0
8 mol 93 unq 5 iso 0 dist 7.46327 6.09816 9.4523 8.48621 7.8674 12.7936 10.4036 7.62611 10.3849 8.05783 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.48788 6.69791 5.88354 5.36923 7.63183 10.7735 4.17528 6.62972 4.67519 9.50457 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.48788 6.7822 7.89665 5.36923 7.63183 9.38161 4.17528 6.62972 6.6076 9.50457 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.48788 9.86407 5.39354 5.36923 7.63183 10.5878 4.17528 6.62972 10.6513 9.50457 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.48788 10.9221 5.74854 5.36923 7.63183 13.1711 4.17528 6.62972 10.4027 9.50457 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 5.48788 9.71558 8.76566 5.36923 7.63183 7.42291 4.17528 6.62972 12.3568 9.50457 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 5.48788 11.3525 8.8368 5.36923 7.63183 8.01486 4.17528 6.62972 14.5457 9.50457 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.92412 4.37081 6.69515 12.845 8.26172 9.76015 12.9359 4.46777 10.1386 6.52248 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 8.92412 4.37081 6.69515 12.845 8.26172 9.76015 11.5448 6.94988 7.42649 4.98952 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 8.92412 6.23566 7.86572 12.845 8.26172 8.24418 12.9359 4.46777 10.1432 6.52248 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 8.92412 6.23566 7.86572 12.845 8.26172 8.24418 11.5448 6.94988 9.43674 4.98952 numMergedOcc 0
19 mol 141 unq 4 iso 0 dist 6.97579 10.5394 6.69515 6.54963 8.26172 9.76015 4.37003 4.46777 10.1386 6.52248 numMergedOcc 0
20 mol 141 unq 5 iso 0 dist 6.97579 10.5394 6.69515 6.54963 8.26172 9.76015 4.34943 6.94988 7.42649 4.98952 numMergedOcc 0
21 mol 141 unq 6 iso 0 dist 6.97579 12.1215 7.86572 6.54963 8.26172 8.24418 4.37003 4.46777 10.1432 6.52248 numMergedOcc 0
22 mol 141 unq 7 iso 0 dist 6.97579 12.1215 7.86572 6.54963 8.26172 8.24418 4.34943 6.94988 9.43674 4.98952 numMergedOcc 0
23 mol 147 unq 0 iso 0 dist 9.60646 8.07266 5.49226 16.8694 9.23528 9.02993 10.23 7.25644 11.1681 15.9875 numMergedOcc 0
24 mol 147 unq 1 iso 0 dist 9.60646 5.83569 6.28351 16.8694 9.23528 14.4247 10.23 7.25644 5.50251 15.9875 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.67802 18.5326 9.83476 14.8027 8.12349 6.87725 10.9082 4.5271 10.5063 6.16503 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.67802 18.5326 9.83476 14.8027 8.12349 6.87725 5.48326 7.02575 14.4429 9.6472 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 9.18314 7.37734 9.83476 6.14396 8.12349 6.87725 9.9497 4.5271 10.5063 6.16503 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 9.18314 7.37734 9.83476 6.14396 8.12349 6.87725 10.094 7.02575 14.4429 9.6472 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 7.84953 6.66456 6.29367 13.3105 8.93185 6.90702 5.95332 8.3087 4.92618 9.99277 numMergedOcc 0
30 mol 218 unq 1 iso 0 dist 7.84953 5.09263 5.76954 13.3105 8.93185 10.4526 5.95332 8.3087 7.84019 9.99277 numMergedOcc 0
31 mol 218 unq 2 iso 0 dist 7.84953 10.1782 9.20961 13.3105 8.93185 8.94041 5.95332 8.3087 10.9043 9.99277 numMergedOcc 0
32 mol 218 unq 3 iso 0 dist 4.57726 6.66456 8.86175 8.98232 9.06334 9.46742 5.95332 9.32945 4.92618 7.21841 numMergedOcc 0
33 mol 218 unq 4 iso 0 dist 4.57726 5.09263 6.29511 8.98232 9.06334 11.438 5.95332 9.32945 7.84019 7.21841 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 7.10883 6.7444 6.6561 8.96094 6.53728 4.76151 5.32385 8.20162 7.17211 6.59663 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.82933 6.62225 6.70815 8.76033 6.47194 6.6525 6.60614 9.91199 10.8558 8.09074 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 8.82933 12.4255 7.99477 8.76033 6.47194 5.27959 6.60614 9.91199 13.2927 8.09074 numMergedOcc 0
