0 mol 11 unq 0 iso 0 dist 9.74528 17.4352 9.81983 11.3059 9.89425 9.74251 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.26877 14.2257 7.11491 12.0497 7.78689 8.23404 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.99434 11.0398 7.11491 5.76698 7.78689 8.23404 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.49794 13.7393 7.1829 11.3706 7.70645 8.13327 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.10222 11.0408 7.1829 5.75684 7.70645 8.13327 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.81735 5.5226 8.75957 5.17091 9.41463 10.0092 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.26566 7.41059 9.87699 9.4465 8.71074 5.75753 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 6.65972 8.69896 6.86517 11.5374 9.04293 3.99035 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 6.65972 8.69896 6.86517 5.21981 4.78333 4.53016 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 6.65972 10.3307 8.33791 11.5374 9.04293 6.69352 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 6.65972 10.3307 8.33791 5.21981 4.78333 6.0749 numMergedOcc 0
11 mol 79 unq 4 iso 0 dist 4.2253 10.3307 7.38548 5.21981 4.74254 6.0749 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 7.69755 10.4465 8.99451 4.93836 5.35861 10.5584 numMergedOcc 0
13 mol 83 unq 1 iso 0 dist 9.64197 14.2697 8.99451 8.82563 5.35861 10.5584 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 8.66427 6.38363 8.25144 12.4236 5.37869 10.797 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 8.66427 6.38363 8.25144 9.61831 4.05415 7.04693 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 8.66427 6.38363 8.25144 11.3963 9.97944 6.7475 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 7.51319 16.5205 9.13593 8.08787 4.29937 10.797 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 7.51319 16.5205 9.13593 10.4844 3.65628 7.04693 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 7.51319 16.5205 9.13593 16.4231 9.77774 6.7475 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 8.49887 16.5205 8.25144 8.08787 5.37869 10.797 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 8.49887 16.5205 8.25144 10.4844 4.05415 7.04693 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 8.49887 16.5205 8.25144 16.4231 9.97944 6.7475 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 9.43839 6.53627 9.13593 11.053 4.29937 10.797 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 9.43839 6.53627 9.13593 7.97629 3.65628 7.04693 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 9.43839 6.53627 9.13593 5.46713 9.77774 6.7475 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 8.12558 10.9933 6.90583 4.62155 5.95801 9.84473 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 9.99012 11.6598 7.2932 12.1494 6.60366 4.06908 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 5.33772 8.28318 7.2932 7.11802 6.60366 4.06908 numMergedOcc 0
29 mol 158 unq 0 iso 0 dist 9.27714 7.46548 4.6512 11.3047 6.77583 4.09908 numMergedOcc 0
30 mol 158 unq 1 iso 0 dist 9.27714 5.97811 9.45696 11.3047 6.77583 9.81176 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 4.79423 9.50013 9.31569 9.5548 8.92135 10.6999 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 4.79423 8.59979 8.72743 9.5548 8.92135 6.18065 numMergedOcc 0
33 mol 254 unq 0 iso 0 dist 9.84028 10.6769 9.31434 8.2786 5.6417 3.91259 numMergedOcc 0
34 mol 254 unq 1 iso 0 dist 9.84028 10.6769 9.31434 5.20737 7.42831 5.53173 numMergedOcc 0
35 mol 285 unq 0 iso 0 dist 4.95596 11.9198 8.79261 5.62841 4.27826 6.3633 numMergedOcc 0
36 mol 285 unq 1 iso 0 dist 6.3508 11.9198 9.99125 5.62841 5.82074 6.3633 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 8.17436 13.2009 9.25759 7.94344 4.93516 5.97664 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.17436 13.2009 9.25759 7.94344 4.93516 5.97664 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.17436 13.2009 9.25759 7.94344 4.93516 5.97664 numMergedOcc 0
