0 mol 62 unq 0 iso 0 dist 6.02731 4.85685 8.21895 6.93243 10.029 5.83263 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 5.19645 7.8377 9.69694 14.8053 13.3257 8.98763 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 8.6701 7.0652 5.56839 12.9473 5.39918 6.9447 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 6.85457 7.0652 7.83506 12.9473 9.73503 6.9447 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 5.7085 10.3017 7.40338 5.6738 8.69658 8.46167 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 8.29394 5.04742 9.42762 8.8413 5.25923 8.20345 numMergedOcc 0
6 mol 123 unq 1 iso 0 dist 8.29394 11.4019 7.30244 16.4102 9.04448 8.24171 numMergedOcc 0
7 mol 123 unq 2 iso 0 dist 8.29394 11.4019 7.30244 8.8413 5.25923 5.38148 numMergedOcc 0
8 mol 123 unq 3 iso 0 dist 8.29394 11.4019 7.30244 17.7774 11.8191 6.63094 numMergedOcc 0
9 mol 123 unq 4 iso 0 dist 5.98534 5.02162 9.42762 7.82124 5.25923 8.20345 numMergedOcc 0
10 mol 123 unq 5 iso 0 dist 5.98534 8.90549 7.30244 13.009 9.04448 8.24171 numMergedOcc 0
11 mol 123 unq 6 iso 0 dist 5.98534 8.90549 7.30244 7.82124 5.25923 5.38148 numMergedOcc 0
12 mol 123 unq 7 iso 0 dist 5.98534 8.90549 7.30244 15.2082 11.8191 6.63094 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.3604 14.4172 6.90583 12.5708 6.30849 4.70342 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 9.3604 4.55176 6.75593 12.5708 6.30849 8.23543 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 5.53183 5.76262 9.59327 6.16995 6.67922 9.28718 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.56023 3.98361 9.31569 13.0035 15.9388 9.64977 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 4.83135 4.20473 6.14222 6.23804 3.68546 8.94198 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 4.83135 4.20473 6.14222 6.66019 6.56216 9.49159 numMergedOcc 0
19 mol 196 unq 2 iso 0 dist 4.83135 4.20473 6.14222 9.88671 7.25762 8.79306 numMergedOcc 0
20 mol 217 unq 0 iso 0 dist 9.07838 6.25233 8.4493 13.1304 9.12199 9.04156 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 7.41653 3.57554 9.36974 6.26195 11.0519 8.27566 numMergedOcc 0
