0 mol 7 unq 0 iso 0 dist 7.5706 8.43473 6.04832 9.60499 10.5551 6.02702 6.7985 5.82034 6.14469 6.55304 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5706 8.43473 6.04832 11.0773 4.87279 8.72114 6.7985 5.82034 6.14469 6.34041 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.28925 5.03847 6.04832 10.6581 10.5551 6.02702 9.68596 5.82034 6.14469 6.55304 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 6.28925 5.03847 6.04832 10.5461 4.87279 8.72114 9.68596 5.82034 6.14469 6.34041 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.70159 13.8829 6.04832 18.3807 10.5551 6.02702 12.9581 5.82034 6.14469 6.55304 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 8.70159 13.8829 6.04832 7.10621 4.87279 8.72114 12.9581 5.82034 6.14469 6.34041 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 7.47838 11.8617 7.2707 11.938 5.72062 7.32257 15.8319 12.0297 7.35972 8.50424 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 7.47838 11.8617 7.2707 10.069 7.6565 6.55811 15.8319 12.0297 7.35972 6.02809 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 7.47838 11.8617 7.2707 13.6105 12.3746 8.64915 15.8319 12.0297 7.35972 4.98827 numMergedOcc 0
9 mol 9 unq 3 iso 0 dist 7.47838 9.55673 8.99816 10.069 7.6565 7.36018 15.8319 12.0297 9.93542 6.02809 numMergedOcc 0
10 mol 9 unq 4 iso 0 dist 7.47838 9.55673 8.99816 13.6105 12.3746 8.17347 15.8319 12.0297 9.93542 4.98827 numMergedOcc 0
11 mol 15 unq 0 iso 0 dist 7.876 4.29582 9.41935 9.88835 14.8121 5.89412 7.48342 6.25997 6.03257 9.75966 numMergedOcc 0
12 mol 15 unq 1 iso 0 dist 7.876 4.29582 9.41935 8.38064 5.88545 7.07399 7.48342 6.25997 6.03257 4.39605 numMergedOcc 0
13 mol 15 unq 2 iso 0 dist 8.63502 8.72342 9.41935 14.206 14.8121 5.89412 11.2317 6.25997 6.03257 9.75966 numMergedOcc 0
14 mol 15 unq 3 iso 0 dist 8.63502 8.72342 9.41935 10.4158 5.88545 7.07399 11.2317 6.25997 6.03257 4.39605 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 4.5985 5.42531 6.84692 10.1489 8.07089 7.01812 7.80975 4.71426 9.5057 10.6848 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 4.5985 5.42531 6.84692 13.2001 12.8256 8.30845 7.80975 4.71426 9.5057 15.3454 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 8.20656 8.4128 6.84692 7.17106 8.07089 7.01812 7.10378 4.71426 9.5057 10.6848 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 8.20656 8.4128 6.84692 10.5134 12.8256 8.30845 7.10378 4.71426 9.5057 15.3454 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 9.64695 12.538 6.49688 13.268 5.47259 6.16242 17.1879 14.6184 8.95662 12.131 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 9.64695 12.538 6.49688 12.6651 4.70102 5.87634 17.1879 14.6184 8.95662 14.8102 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 4.51266 4.54648 6.49688 6.29155 5.47259 6.16242 10.9581 14.6184 8.95662 12.131 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 4.51266 4.54648 6.49688 6.80239 4.70102 5.87634 10.9581 14.6184 8.95662 14.8102 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 8.47008 5.63555 6.2176 7.63312 5.83639 5.9176 11.9764 8.51662 7.22883 6.29863 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 7.61316 10.286 5.67863 15.834 12.3879 6.72379 15.6852 9.82808 6.38324 7.11753 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 7.61316 15.0555 9.42308 14.0836 12.9377 8.65535 15.6852 9.82808 6.1886 11.6598 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 8.8949 10.6582 8.20201 18.4477 15.3739 9.16003 9.20822 10.9723 8.10254 11.1554 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 9.82018 4.60101 6.83684 13.3579 9.75887 8.83865 8.49177 5.91142 7.16346 12.0136 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 9.82018 4.60101 6.83684 13.4294 7.29345 9.18157 8.49177 5.91142 7.16346 12.1851 numMergedOcc 0
29 mol 273 unq 2 iso 0 dist 6.70271 9.25493 8.25037 9.01049 5.29565 8.49177 11.6152 6.54339 7.16346 4.60101 numMergedOcc 0
30 mol 273 unq 3 iso 0 dist 6.08532 7.42724 8.25037 10.2273 5.29565 8.49177 10.6031 6.54339 7.16346 4.60101 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 6.92434 5.29529 5.0002 7.56915 5.87456 8.52587 9.85289 4.67674 6.88827 6.20558 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 6.92434 5.29529 5.0002 7.56915 5.87456 8.52587 14.1515 11.1431 9.16942 16.3619 numMergedOcc 0
33 mol 274 unq 2 iso 0 dist 6.92434 5.29529 5.0002 11.3168 6.38211 6.39866 9.85289 4.67674 6.88827 6.16703 numMergedOcc 0
34 mol 274 unq 3 iso 0 dist 6.92434 5.29529 5.0002 11.3168 6.38211 6.39866 14.1515 11.1431 9.16942 5.64601 numMergedOcc 0
