0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 6.98291 9.20601 6.6492 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 16.1511 10.6756 5.69955 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 18.7941 10.6756 5.69955 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.16827 7.23774 5.73819 9.32155 5.48048 8.44903 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 7.68916 13.3091 7.34143 15.9771 8.9759 9.9052 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 7.47417 13.0115 7.34143 15.8827 8.9759 9.9052 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.15486 6.58144 6.64012 9.57633 6.37648 7.27383 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 6.85083 7.35881 7.17396 10.447 11.0904 8.64015 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 8.99661 7.24315 6.61823 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.22406 5.41023 9.64443 11.5285 12.163 6.49956 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.65229 5.43987 9.60462 12.1921 17.3924 9.92283 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 7.65229 5.43987 9.60462 5.82495 3.98564 7.23962 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 7.65229 9.7695 7.45389 5.82495 3.98564 7.30204 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 11.0439 7.61939 7.99857 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 9.89116 3.78311 7.77116 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 11.6102 10.1489 4.92088 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.03567 8.339 7.54065 14.237 8.90184 7.20574 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.03567 12.2966 8.87694 14.237 8.90184 6.85302 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 8.03567 12.2966 8.87694 19.8343 12.8303 9.98215 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 8.01082 5.28092 8.44861 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 8.01082 5.28092 5.60393 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 7.19917 9.55205 6.18308 14.065 9.59996 5.37446 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 8.3035 6.23589 8.82096 13.0019 10.2399 8.46327 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 9.01896 7.3913 8.82096 8.45863 10.2399 8.46327 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 9.63243 6.17628 5.45036 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 8.93637 14.8074 9.23153 16.3542 14.0253 9.97586 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 13.1731 10.2525 8.03442 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 9.18218 6.78651 7.56888 13.1731 6.10296 8.03442 numMergedOcc 0
28 mol 227 unq 2 iso 0 dist 6.18486 6.78651 7.55216 13.1731 9.69537 8.03442 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 9.78185 6.79692 7.19638 10.2831 5.25252 6.86945 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 10.3054 6.6525 9.53063 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 12.1047 8.7909 8.46061 numMergedOcc 0
32 mol 272 unq 1 iso 0 dist 7.66615 11.4664 9.97651 12.1047 4.86504 9.64269 numMergedOcc 0
33 mol 272 unq 2 iso 0 dist 7.66615 10.3544 8.46116 12.1047 4.86504 8.46061 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 7.1984 6.23921 8.15665 10.1937 5.25615 9.13907 numMergedOcc 0
