0 mol 29 unq 0 iso 0 dist 9.27422 8.44709 7.50258 13.5747 5.82508 8.53135 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.6177 6.24063 8.16246 8.74806 10.4221 6.29755 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.6177 11.6553 9.48823 8.74806 10.4221 7.4038 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.8599 11.4822 6.3141 16.0618 7.20844 9.27697 numMergedOcc 0
4 mol 124 unq 0 iso 0 dist 8.55572 5.69896 7.18976 13.4201 9.2094 8.03603 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 8.20904 12.8509 8.64054 13.7666 6.95591 6.93718 numMergedOcc 0
6 mol 128 unq 1 iso 0 dist 9.82711 6.61379 8.64054 11.0941 6.95591 6.93718 numMergedOcc 0
7 mol 128 unq 2 iso 0 dist 5.96435 6.53583 8.64054 9.92895 6.95591 6.93718 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 5.33659 5.34994 6.08846 11.3625 9.13134 6.45169 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 9.54443 12.5471 5.86839 15.3166 6.38518 6.02053 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 9.54443 12.5471 5.86839 17.318 7.86936 7.41663 numMergedOcc 0
11 mol 209 unq 0 iso 0 dist 8.67577 8.04189 9.79293 11.9088 8.95238 6.82209 numMergedOcc 0
12 mol 241 unq 0 iso 0 dist 7.16232 7.52886 7.26758 9.16144 4.77878 6.54678 numMergedOcc 0
13 mol 261 unq 0 iso 0 dist 6.93654 4.95392 7.58385 10.965 6.29331 8.25759 numMergedOcc 0
14 mol 261 unq 1 iso 0 dist 6.93654 6.94755 6.0437 12.1672 6.8395 9.38192 numMergedOcc 0
15 mol 261 unq 2 iso 0 dist 6.93654 6.94755 6.0437 10.965 6.29331 6.99444 numMergedOcc 0
16 mol 261 unq 3 iso 0 dist 9.66298 6.94755 4.85199 12.1672 5.03102 9.38192 numMergedOcc 0
17 mol 261 unq 4 iso 0 dist 9.66298 6.94755 4.85199 10.965 6.40309 6.99444 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 7.29081 12.2394 5.78262 13.3775 7.01631 7.84151 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 7.29081 12.2394 5.78262 11.3207 7.05181 7.346 numMergedOcc 0
20 mol 290 unq 0 iso 0 dist 9.03331 5.65709 7.79492 11.8601 4.96234 8.29597 numMergedOcc 0
