0 mol 5 unq 0 iso 0 dist 5.04052 7.0627 3.33561 8.35174 7.50453 5.69239 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.46284 7.62938 5.31713 5.17677 7.74636 7.64769 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 4.61355 5.92771 6.08836 4.38299 5.4713 3.77542 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 5.92285 6.42645 5.98227 7.49995 8.93807 4.46067 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.18122 9.85144 3.3389 8.75597 4.14492 5.36214 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 8.36221 5.80266 3.3389 7.36026 4.14492 5.36214 numMergedOcc 0
6 mol 123 unq 2 iso 0 dist 8.6441 5.18305 8.42496 6.45068 4.14492 5.56127 numMergedOcc 0
7 mol 123 unq 3 iso 0 dist 8.6441 6.78431 3.3389 6.45068 4.14492 5.36214 numMergedOcc 0
8 mol 123 unq 4 iso 0 dist 6.70684 6.60464 3.3389 6.36283 4.14492 5.36214 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 8.79644 8.80004 3.18152 9.55863 7.65903 5.10589 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 8.79644 8.80004 3.18152 4.68959 5.97653 4.63336 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 8.79644 8.80004 3.18152 5.99532 7.75523 6.10715 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 8.70011 7.81831 3.64285 8.36583 7.70062 7.96338 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 8.70011 7.81831 3.64285 5.61704 7.66702 7.42759 numMergedOcc 0
14 mol 285 unq 0 iso 0 dist 7.63933 6.94666 3.14843 8.56197 4.27826 5.88958 numMergedOcc 0
15 mol 285 unq 1 iso 0 dist 7.63933 6.94666 3.14843 12.7469 5.82074 7.78121 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.74312 8.08382 3.66473 6.1158 4.93516 4.68668 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.74312 8.08382 3.66473 6.1158 4.93516 4.68668 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.74312 8.08382 3.66473 6.1158 4.93516 4.68668 numMergedOcc 0
