0 mol 45 unq 0 iso 0 dist 9.53378 5.54436 5.55096 10.7109 4.06745 5.81001 5.46116 8.80014 4.52443 7.72462 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 12.8149 5.45005 8.13051 10.4524 6.62229 5.36808 6.87028 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 6.7117 8.70415 6.0129 9.81956 3.92737 4.44979 14.5912 10.3996 5.92812 6.83746 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 6.7117 8.70415 6.0129 9.81956 3.92737 4.44979 12.3881 10.5879 6.34014 9.14707 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 6.7117 8.70415 6.0129 5.10496 3.94967 6.61111 7.32662 8.43352 13.6622 8.75597 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 6.7117 8.70415 6.0129 5.10496 3.94967 6.61111 12.3881 10.5879 6.34014 9.18457 numMergedOcc 0
6 mol 98 unq 4 iso 0 dist 4.47349 10.0962 6.0129 7.54889 3.92737 4.44979 13.9572 10.3996 5.92812 6.83746 numMergedOcc 0
7 mol 98 unq 5 iso 0 dist 4.47349 10.0962 6.0129 7.54889 3.92737 4.44979 13.1975 10.5879 6.34014 9.14707 numMergedOcc 0
8 mol 98 unq 6 iso 0 dist 4.47349 10.0962 6.0129 5.2571 3.94967 6.61111 6.934 8.43352 13.6622 8.75597 numMergedOcc 0
9 mol 98 unq 7 iso 0 dist 4.47349 10.0962 6.0129 5.2571 3.94967 6.61111 13.1975 10.5879 6.34014 9.18457 numMergedOcc 0
10 mol 98 unq 8 iso 0 dist 5.65185 11.2452 6.0129 7.78931 3.92737 4.44979 14.5341 10.3996 5.92812 6.83746 numMergedOcc 0
11 mol 98 unq 9 iso 0 dist 5.65185 11.2452 6.0129 7.78931 3.92737 4.44979 15.9953 10.5879 6.34014 9.14707 numMergedOcc 0
12 mol 98 unq 10 iso 0 dist 5.65185 11.2452 6.0129 8.7497 3.94967 6.61111 7.17433 8.43352 13.6622 8.75597 numMergedOcc 0
13 mol 98 unq 11 iso 0 dist 5.65185 11.2452 6.0129 8.7497 3.94967 6.61111 15.9953 10.5879 6.34014 9.18457 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 6.84011 8.88748 5.79343 10.2365 4.08391 5.51885 11.177 9.17466 4.69847 7.59156 numMergedOcc 0
15 mol 126 unq 0 iso 0 dist 6.30546 7.01257 7.36017 11.4624 5.50104 9.93613 5.5703 5.94233 5.83002 8.66815 numMergedOcc 0
16 mol 126 unq 1 iso 0 dist 6.29233 5.15767 5.14819 11.8923 7.02562 9.93613 9.71711 8.56219 5.83002 8.66815 numMergedOcc 0
17 mol 126 unq 2 iso 0 dist 5.42406 5.15767 6.84245 11.8923 11.1195 9.93613 9.71711 11.9246 5.83002 8.66815 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 12.4385 11.5269 6.44575 13.1292 9.30061 8.05714 6.99345 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 7.69991 6.69989 8.55616 11.2896 6.93712 7.43401 13.1292 9.30061 8.05714 5.11043 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 6.23142 5.3585 8.55616 11.0808 11.5269 6.44575 9.4027 9.30061 8.05714 6.99345 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 6.23142 5.3585 8.55616 9.33094 6.93712 7.43401 9.4027 9.30061 8.05714 5.11043 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 9.94764 6.74887 8.55616 9.1998 11.5269 6.44575 5.12325 9.30061 8.05714 6.99345 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 9.94764 6.74887 8.55616 8.69531 6.93712 7.43401 5.12325 9.30061 8.05714 5.11043 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 5.41321 6.43754 7.57454 9.91384 12.8337 7.79951 11.0628 12.135 5.92529 5.28771 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 7.32499 5.9221 7.43663 11.1846 10.7351 6.96257 15.0264 11.4382 9.66782 8.52295 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.23721 5.34838 9.24367 10.2562 9.85432 6.0283 9.95321 13.2249 4.66909 5.81528 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.88863 5.98906 5.7131 11.3379 5.93687 5.84792 9.28091 11.9814 6.67435 9.2558 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 9.88863 5.98906 5.7131 14.1177 9.40023 8.73515 9.28091 11.9814 6.67435 9.84946 numMergedOcc 0
