0 mol 26 unq 0 iso 0 dist 9.15677 5.03531 6.33493 14.8485 7.34549 13.2534 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.15677 5.03531 6.33493 16.9454 8.09068 13.4493 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.15677 5.03531 6.33493 17.4951 9.72289 14.9744 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 6.11985 6.13476 12.9368 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.84668 6.0662 6.91113 11.8129 6.65465 11.7589 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 6.27528 7.07055 5.54818 7.65009 9.37524 13.2691 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.05043 9.64287 4.23405 11.1228 9.17862 7.97266 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 6.05043 9.64287 4.23405 6.99612 8.27456 11.6899 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.87148 9.85144 6.21159 6.90284 9.99727 7.41568 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 9.26057 6.60464 6.21159 4.43198 9.99727 7.41568 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 6.7319 8.72521 10.9086 6.48668 7.39851 10.6825 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 6.7319 8.19373 7.02542 6.48668 7.39851 12.653 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 4.93984 7.33483 6.13061 7.78944 9.21386 14.1958 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.08787 7.93815 4.63377 9.19336 8.8508 7.00382 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 5.80867 7.48253 4.27652 7.54337 9.98332 13.0708 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 9.4363 6.13687 4.27652 17.0845 9.98332 13.0708 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.92766 7.8518 6.49075 10.7365 6.20646 11.1558 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 7.92766 7.8518 6.49075 14.1382 6.73266 12.0034 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 6.82185 7.86605 4.71943 7.67515 7.22234 5.90026 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 6.82185 7.86605 4.71943 6.97521 5.86501 8.86496 numMergedOcc 0
20 mol 213 unq 2 iso 0 dist 6.82881 7.86605 3.62097 7.67515 8.48081 5.90026 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 5.76077 8.86676 9.46115 12.8509 9.86979 19.0573 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 9.58494 6.01365 11.0149 4.39811 9.65332 10.3103 numMergedOcc 0
