0 mol 79 unq 0 iso 0 dist 7.74131 6.96066 12.7438 7.58743 3.45432 10.8503 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 5.96486 7.41802 6.15601 5.73799 3.71228 4.85657 numMergedOcc 0
2 mol 81 unq 1 iso 0 dist 5.96486 7.41802 6.15601 8.38883 7.58448 8.72274 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 7.97999 7.88704 13.7016 7.84642 3.72263 11.8383 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 7.97999 9.54782 9.41602 7.84642 3.72263 9.28473 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.64281 9.15172 13.0381 6.12348 7.09333 13.6511 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 7.10223 8.5081 5.55349 5.06116 5.18463 5.32843 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 6.91762 7.49276 6.16281 7.25009 5.05961 10.541 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 9.80584 9.9224 14.5078 7.93715 9.82173 14.4241 numMergedOcc 0
9 mol 192 unq 1 iso 0 dist 7.95713 9.9224 10.161 7.93715 9.52963 14.4241 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 8.97651 9.39697 9.79531 9.48766 8.34322 9.72539 numMergedOcc 0
11 mol 195 unq 1 iso 0 dist 8.97651 4.86882 6.4405 9.48766 8.34322 5.49738 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 7.82564 5.83646 5.12308 7.13727 3.68226 4.48114 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 9.91136 5.83646 4.29839 7.13727 5.17124 4.48114 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 5.06669 8.19381 8.71894 9.11416 12.7525 14.199 numMergedOcc 0
15 mol 244 unq 1 iso 0 dist 5.06669 8.93421 7.94286 9.11416 12.7525 15.195 numMergedOcc 0
16 mol 244 unq 2 iso 0 dist 5.06669 7.35657 5.36127 9.11416 12.7525 16.1506 numMergedOcc 0
17 mol 244 unq 3 iso 0 dist 5.06669 6.19605 6.81518 9.11416 12.7525 9.34983 numMergedOcc 0
18 mol 244 unq 4 iso 0 dist 5.65248 8.19381 8.52699 9.11416 7.99094 14.199 numMergedOcc 0
19 mol 244 unq 5 iso 0 dist 5.65248 8.93421 12.4452 9.11416 7.99094 15.195 numMergedOcc 0
20 mol 244 unq 6 iso 0 dist 5.65248 7.35657 11.2736 9.11416 7.99094 16.1506 numMergedOcc 0
21 mol 244 unq 7 iso 0 dist 5.65248 6.19605 7.59011 9.11416 7.99094 9.34983 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 7.14598 8.88264 4.19031 7.23526 10.6382 13.7649 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 5.43053 4.88541 4.55986 9.29745 9.31454 6.24393 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 8.36393 5.96202 7.50871 7.81241 5.14231 5.83652 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 8.36393 5.96202 7.50871 9.52445 4.25884 5.99759 numMergedOcc 0
