0 mol 7 unq 0 iso 0 dist 9.60499 7.60712 14.0261 6.55304 6.7985 9.9241 6.02702 8.43473 5.79279 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 7.5706 10.5551 8.43473 6.02702 6.04832 6.7985 6.55304 5.82034 6.14469 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 8.70159 4.87279 13.8829 8.72114 6.04832 12.9581 6.34041 5.82034 6.14469 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 4.29582 7.07399 9.41935 7.48342 4.39605 6.25997 6.03257 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 4.54938 7.97324 8.33878 4.97119 6.41575 12.8082 7.75618 9.74255 10.3824 9.95212 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 6.864 7.97324 11.8689 4.97119 6.41423 12.8082 7.75618 7.08342 10.3824 9.95212 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.86014 9.61998 7.72775 6.66749 9.41441 11.6758 7.33768 4.32034 4.86245 8.00171 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.86014 9.61998 7.72775 6.66749 9.41441 11.6758 12.2059 12.2662 14.3227 5.95834 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.86014 9.61998 7.72775 6.66749 9.41441 11.6758 9.01567 8.67951 12.4877 4.2121 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.86014 9.61998 7.72775 6.66749 9.41441 11.6758 7.29868 8.52463 14.5906 6.72323 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 9.33919 7.9151 5.11416 9.24757 10.462 12.1382 6.29906 9.70311 8.87464 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.19304 9.79143 7.9151 6.56633 9.24757 10.462 10.2755 6.29906 9.70311 8.87464 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.70481 6.43377 7.9151 15.3808 9.24757 10.462 10.8139 6.29906 9.70311 8.87464 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.97049 9.30021 10.4545 9.29301 9.82915 13.05 14.4725 10.4987 19.4065 9.66222 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.47541 5.62635 10.4545 13.5116 9.82915 13.05 17.5738 10.4987 19.4065 9.66222 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 7.47541 7.07868 9.87083 13.5116 9.82915 18.4974 17.5738 10.4987 20.0273 9.66222 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.17106 8.20656 8.07089 8.4128 7.01812 6.84692 7.10378 10.6848 4.71426 9.5057 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 9.35224 7.5951 6.35939 10.0456 7.01812 11.5672 15.2289 10.6848 16.3094 9.5057 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 6.56369 7.5951 4.46114 10.0456 8.30845 11.5672 15.2289 15.3454 16.3094 9.5057 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 5.86073 8.57673 5.05071 10.1816 8.8822 13.8879 11.9334 7.27193 11.0151 6.6317 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 4.54648 6.16242 6.49688 10.9581 12.131 14.6184 8.95662 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 4.54648 5.87634 6.49688 10.9581 14.8102 14.6184 8.95662 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.63312 8.47008 5.83639 5.63555 5.9176 6.2176 11.9764 6.29863 8.51662 7.22883 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 9.01049 6.70271 5.29565 9.25493 8.49177 8.25037 11.6152 4.60101 6.54339 7.16346 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 7.56915 6.92434 5.87456 5.29529 8.52587 5.0002 9.85289 6.20558 4.67674 6.88827 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 7.56915 6.92434 5.87456 5.29529 8.52587 5.0002 14.1515 16.3619 11.1431 9.16942 numMergedOcc 0
26 mol 274 unq 2 iso 0 dist 7.56915 6.93875 8.83823 5.29529 8.52587 11.9154 9.85289 6.20558 14.1093 6.88827 numMergedOcc 0
27 mol 274 unq 3 iso 0 dist 7.56915 6.93875 8.83823 5.29529 8.52587 11.9154 14.1515 16.3619 20.6682 9.16942 numMergedOcc 0
28 mol 274 unq 4 iso 0 dist 7.56915 6.0868 9.51441 5.29529 8.52587 10.6062 9.85289 6.20558 13.6948 6.88827 numMergedOcc 0
29 mol 274 unq 5 iso 0 dist 7.56915 6.0868 9.51441 5.29529 8.52587 10.6062 14.1515 16.3619 19.6329 9.16942 numMergedOcc 0
30 mol 274 unq 6 iso 0 dist 7.56915 6.32856 11.5556 5.29529 8.52587 9.1028 9.85289 6.20558 13.6849 6.88827 numMergedOcc 0
31 mol 274 unq 7 iso 0 dist 7.56915 6.32856 11.5556 5.29529 8.52587 9.1028 14.1515 16.3619 17.1907 9.16942 numMergedOcc 0
