0 mol 5 unq 0 iso 0 dist 5.63302 5.8674 7.64769 4.55639 3.50411 8.68577 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.63302 5.8674 7.64769 5.70163 4.84696 9.70883 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 5.63302 6.88126 8.31759 4.55639 3.50411 8.13672 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 4.55639 5.8674 8.68577 5.63302 3.50411 7.64769 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 4.55639 5.8674 8.68577 5.70163 5.30421 9.70883 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 4.55639 6.88126 8.13672 5.63302 3.50411 8.31759 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 5.70163 5.8674 9.70883 5.63302 4.84696 7.64769 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 5.70163 5.8674 9.70883 4.55639 5.30421 8.68577 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 8.96154 11.9912 8.53424 8.90935 3.70336 7.08766 numMergedOcc 0
9 mol 28 unq 1 iso 0 dist 8.96154 11.9912 8.53424 11.1365 5.1533 4.82199 numMergedOcc 0
10 mol 28 unq 2 iso 0 dist 8.90935 11.9912 7.08766 8.96154 3.70336 8.53424 numMergedOcc 0
11 mol 28 unq 3 iso 0 dist 8.90935 11.9912 7.08766 11.1365 3.0988 4.82199 numMergedOcc 0
12 mol 30 unq 0 iso 0 dist 9.13786 3.30907 9.63882 8.56807 6.09772 6.87277 numMergedOcc 0
13 mol 30 unq 1 iso 0 dist 8.56807 3.30907 6.87277 9.13786 6.09772 9.63882 numMergedOcc 0
14 mol 30 unq 2 iso 0 dist 8.28218 9.23676 9.63882 11.2583 6.09772 6.87277 numMergedOcc 0
15 mol 48 unq 0 iso 0 dist 7.90364 5.54746 5.54472 11.6061 3.86264 8.62369 numMergedOcc 0
16 mol 48 unq 1 iso 0 dist 7.90364 5.54746 5.54472 11.8549 8.66712 6.5241 numMergedOcc 0
17 mol 48 unq 2 iso 0 dist 7.78518 5.76412 5.37439 11.3308 3.69391 8.3714 numMergedOcc 0
18 mol 48 unq 3 iso 0 dist 7.78518 5.76412 5.37439 11.8714 8.61401 6.36817 numMergedOcc 0
19 mol 63 unq 0 iso 0 dist 7.73753 5.98039 8.14512 10.8484 13.0286 9.13228 numMergedOcc 0
20 mol 78 unq 0 iso 0 dist 8.70827 12.2898 8.61143 19.2414 11.9667 8.79979 numMergedOcc 0
21 mol 78 unq 1 iso 0 dist 9.86479 16.1736 8.61143 20.7015 11.9667 8.79979 numMergedOcc 0
22 mol 111 unq 0 iso 0 dist 6.34004 5.39108 4.91212 11.3642 6.13173 9.74162 numMergedOcc 0
23 mol 111 unq 1 iso 0 dist 7.24101 12.2767 9.34782 13.9368 8.72808 4.91212 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 8.46167 4.62493 5.31126 6.13175 5.7147 4.49669 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 8.46167 4.62493 5.31126 4.34107 8.09465 6.00221 numMergedOcc 0
26 mol 113 unq 2 iso 0 dist 8.46167 6.47997 7.16619 6.13175 5.7147 5.88896 numMergedOcc 0
27 mol 113 unq 3 iso 0 dist 6.13175 4.62493 4.49669 8.46167 5.7147 5.31126 numMergedOcc 0
28 mol 113 unq 4 iso 0 dist 6.13175 4.62493 4.49669 4.34107 3.74304 6.00221 numMergedOcc 0
29 mol 113 unq 5 iso 0 dist 6.13175 6.47997 5.88896 8.46167 5.7147 7.16619 numMergedOcc 0
30 mol 113 unq 6 iso 0 dist 4.34107 4.62493 6.00221 8.46167 8.09465 5.31126 numMergedOcc 0
31 mol 113 unq 7 iso 0 dist 4.34107 4.62493 6.00221 6.13175 3.74304 4.49669 numMergedOcc 0
32 mol 120 unq 0 iso 0 dist 9.43682 3.47821 7.84207 8.0564 8.68088 8.56947 numMergedOcc 0
33 mol 120 unq 1 iso 0 dist 9.43682 6.10769 6.98791 13.9772 5.7181 9.31385 numMergedOcc 0
34 mol 120 unq 2 iso 0 dist 9.8098 11.5289 7.84207 14.0063 5.26524 6.98791 numMergedOcc 0
35 mol 120 unq 3 iso 0 dist 8.0564 3.47821 8.56947 9.43682 8.68088 7.84207 numMergedOcc 0
36 mol 123 unq 0 iso 0 dist 8.20345 3.21474 8.78115 5.38148 8.77423 8.03692 numMergedOcc 0
37 mol 123 unq 1 iso 0 dist 8.24171 12.1183 8.03692 15.4464 8.77423 8.78115 numMergedOcc 0
38 mol 123 unq 2 iso 0 dist 5.38148 3.21474 8.03692 8.20345 8.77423 8.78115 numMergedOcc 0
39 mol 123 unq 3 iso 0 dist 6.63094 12.6794 8.03692 15.3486 8.77423 8.78115 numMergedOcc 0
40 mol 169 unq 0 iso 0 dist 9.39809 6.05322 5.10589 8.38775 5.23644 4.63336 numMergedOcc 0
41 mol 169 unq 1 iso 0 dist 9.39809 6.05322 5.10589 10.8457 7.52063 6.10715 numMergedOcc 0
42 mol 169 unq 2 iso 0 dist 8.38775 6.05322 4.63336 9.39809 5.23644 5.10589 numMergedOcc 0
43 mol 169 unq 3 iso 0 dist 8.38775 6.05322 4.63336 10.8457 3.74306 6.10715 numMergedOcc 0
44 mol 176 unq 0 iso 0 dist 5.58647 5.64063 6.85902 11.341 7.03525 8.65645 numMergedOcc 0
45 mol 186 unq 0 iso 0 dist 9.64977 13.3603 7.25595 12.4852 6.13455 4.87942 numMergedOcc 0
46 mol 194 unq 0 iso 0 dist 8.93352 13.336 4.68722 9.72328 3.78714 5.10542 numMergedOcc 0
47 mol 214 unq 0 iso 0 dist 9.07582 13.7118 8.66082 17.4495 10.5332 7.96338 numMergedOcc 0
48 mol 214 unq 1 iso 0 dist 8.62183 14.3245 8.66082 18.5137 10.5332 7.96338 numMergedOcc 0
49 mol 254 unq 0 iso 0 dist 5.44351 5.14008 7.85841 6.34051 3.15539 9.20109 numMergedOcc 0
50 mol 254 unq 1 iso 0 dist 6.34051 5.14008 9.20109 5.44351 3.15539 7.85841 numMergedOcc 0
51 mol 266 unq 0 iso 0 dist 8.53393 13.7573 7.8598 7.24165 3.00605 7.80711 numMergedOcc 0
52 mol 266 unq 1 iso 0 dist 8.53393 10.0357 8.25286 12.316 5.76129 6.96692 numMergedOcc 0
53 mol 266 unq 2 iso 0 dist 8.53393 10.0357 8.25286 7.24165 3.00605 9.9965 numMergedOcc 0
54 mol 266 unq 3 iso 0 dist 7.24165 13.7573 7.80711 8.53393 3.00605 7.8598 numMergedOcc 0
55 mol 266 unq 4 iso 0 dist 7.24165 10.0357 9.9965 12.316 8.75066 6.96692 numMergedOcc 0
56 mol 266 unq 5 iso 0 dist 7.24165 10.0357 9.9965 8.53393 3.00605 8.25286 numMergedOcc 0
