0 mol 0 unq 0 iso 0 dist 7.65806 9.99338 4.99728 9.15528 6.91778 9.14271 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.6994 8.13129 6.40255 9.11323 7.40865 11.232 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.15528 9.07223 6.40255 9.46298 7.40865 11.232 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.60499 7.60712 14.0261 6.55304 6.7985 9.9241 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 9.60499 7.60712 14.0261 12.2869 6.44736 14.7487 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 9.60499 7.5706 10.5551 8.43473 6.02702 6.04832 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 8.41585 6.28925 10.6847 12.0193 5.99972 12.0719 numMergedOcc 0
7 mol 7 unq 4 iso 0 dist 7.10621 8.70159 4.87279 13.8829 8.72114 6.04832 numMergedOcc 0
8 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 4.29582 7.07399 9.41935 numMergedOcc 0
9 mol 19 unq 0 iso 0 dist 4.54938 7.97324 8.33878 4.97119 6.41575 12.8082 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 6.864 7.97324 11.8689 4.97119 6.41423 12.8082 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.86014 9.61998 7.72775 6.66749 9.41441 11.6758 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 9.5589 7.56581 8.17454 15.293 7.21717 10.5541 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 6.83299 9.22021 8.17454 13.86 7.21717 10.5541 numMergedOcc 0
14 mol 56 unq 0 iso 0 dist 8.66265 9.36071 5.19333 6.63327 7.16773 11.0097 numMergedOcc 0
15 mol 59 unq 0 iso 0 dist 7.17396 8.49118 5.64744 6.90592 8.08618 12.221 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.96396 9.33919 7.9151 5.11416 9.24757 10.462 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 6.19304 9.79143 7.9151 6.56633 9.24757 10.462 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 8.70481 6.43377 7.9151 15.3808 9.24757 10.462 numMergedOcc 0
19 mol 75 unq 0 iso 0 dist 7.79912 7.16975 7.09323 11.4997 9.81166 14.5525 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.97049 9.30021 10.4545 9.29301 9.82915 13.05 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 7.47541 5.62635 10.4545 13.5116 9.82915 13.05 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 7.47541 7.07868 9.87083 13.5116 9.82915 18.4974 numMergedOcc 0
23 mol 85 unq 3 iso 0 dist 6.19965 9.30021 12.3178 8.09967 7.54568 9.70745 numMergedOcc 0
24 mol 85 unq 4 iso 0 dist 7.66905 5.62635 12.3178 4.65335 7.54568 9.70745 numMergedOcc 0
25 mol 85 unq 5 iso 0 dist 7.66905 7.07868 11.3372 4.65335 7.54568 8.60839 numMergedOcc 0
26 mol 85 unq 6 iso 0 dist 5.73196 5.62635 7.43006 4.65335 9.39864 9.70745 numMergedOcc 0
27 mol 85 unq 7 iso 0 dist 5.73196 7.07868 4.60756 4.65335 9.39864 8.60839 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 7.17106 8.20656 8.07089 8.4128 7.01812 6.84692 numMergedOcc 0
29 mol 100 unq 1 iso 0 dist 9.35224 7.5951 6.35939 10.0456 7.01812 11.5672 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 6.56369 7.5951 4.46114 10.0456 8.30845 11.5672 numMergedOcc 0
31 mol 100 unq 3 iso 0 dist 6.56369 7.5951 4.46114 4.97045 8.76378 6.87566 numMergedOcc 0
32 mol 113 unq 0 iso 0 dist 5.86073 8.57673 5.05071 10.1816 8.8822 13.8879 numMergedOcc 0
33 mol 113 unq 1 iso 0 dist 5.86073 8.57673 5.05071 8.42718 9.66219 14.5726 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 6.18601 9.70093 10.6133 5.13589 6.73586 13.9942 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 4.54648 6.16242 6.49688 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 4.54648 5.87634 6.49688 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 9.29945 6.95549 5.32538 7.27408 9.39352 10.8453 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 7.20191 9.39829 10.9996 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 7.63312 8.47008 5.83639 5.63555 5.9176 6.2176 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 7.63312 8.47008 5.83639 7.20191 6.41453 10.9996 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 7.26832 6.52987 7.36565 10.3603 5.44002 10.5519 numMergedOcc 0
42 mol 210 unq 0 iso 0 dist 6.18308 9.08674 7.86189 5.87279 7.10826 11.0071 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 7.00034 6.09177 6.41859 10.0842 9.01021 13.8697 numMergedOcc 0
44 mol 239 unq 1 iso 0 dist 7.00034 7.18198 9.00586 10.0842 9.01021 14.6387 numMergedOcc 0
45 mol 239 unq 2 iso 0 dist 6.16342 5.45139 4.86449 4.30299 8.84636 9.41284 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 6.60405 8.14531 4.88549 5.63675 7.21311 7.05518 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 7.88519 7.64122 10.1317 8.81835 7.98231 10.9888 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 7.46176 7.64122 4.63899 8.81835 7.08526 10.9888 numMergedOcc 0
49 mol 273 unq 0 iso 0 dist 9.01049 6.70271 5.29565 9.25493 8.49177 8.25037 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 7.56915 6.92434 5.87456 5.29529 8.52587 5.0002 numMergedOcc 0
51 mol 274 unq 1 iso 0 dist 7.56915 6.93875 8.83823 5.29529 8.52587 11.9154 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 7.56915 6.0868 9.51441 5.29529 8.52587 10.6062 numMergedOcc 0
53 mol 274 unq 3 iso 0 dist 7.56915 6.32856 11.5556 5.29529 8.52587 9.1028 numMergedOcc 0
