0 mol 44 unq 0 iso 0 dist 7.85573 6.10468 6.21423 11.0282 8.23606 6.5318 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 6.21423 6.10468 7.85573 6.5318 8.23606 11.0282 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 15.8202 7.28917 8.24748 8.30431 14.4616 numMergedOcc 0
3 mol 61 unq 0 iso 1 dist 7.28917 15.8202 9.67403 14.4616 8.30431 8.24748 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.58346 9.96948 9.66744 7.53682 5.39171 14.7261 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.66744 9.96948 5.58346 14.7261 5.39171 7.53682 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.31624 3.85496 5.68726 6.15377 6.328 5.41551 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 5.68726 3.85496 8.31624 5.41551 6.328 6.15377 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.31624 10.1335 7.46882 6.15377 6.328 5.54987 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 7.46882 10.1335 8.31624 5.54987 6.328 6.15377 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.68726 7.44316 7.46882 5.41551 6.328 5.54987 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 7.46882 7.44316 5.68726 5.54987 6.328 5.41551 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.78043 4.13723 5.74364 8.6267 8.67865 4.68995 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 5.74364 4.13723 6.78043 4.68995 8.67865 8.6267 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 8.9889 10.3429 6.67575 10.1806 7.57822 4.36597 numMergedOcc 0
15 mol 103 unq 0 iso 1 dist 6.67575 10.3429 8.9889 4.36597 7.57822 10.1806 numMergedOcc 0
16 mol 108 unq 0 iso 0 dist 5.52402 7.80411 6.79804 4.2179 9.32474 10.5919 numMergedOcc 0
17 mol 108 unq 0 iso 1 dist 6.79804 7.80411 5.52402 10.5919 9.32474 4.2179 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 7.66832 6.14668 8.11083 9.79203 8.59182 5.26073 numMergedOcc 0
19 mol 109 unq 0 iso 1 dist 8.11083 6.14668 7.66832 5.26073 8.59182 9.79203 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 5.4772 3.57533 7.84607 6.22373 8.94995 7.99353 numMergedOcc 0
21 mol 128 unq 0 iso 1 dist 7.84607 3.57533 5.4772 7.99353 8.94995 6.22373 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.85651 7.57921 7.03858 8.75242 9.07294 6.45333 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 7.03858 7.57921 6.85651 6.45333 9.07294 8.75242 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 6.85651 7.57921 7.03858 14.0828 7.50126 11.5586 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 7.03858 7.57921 6.85651 11.5586 7.50126 14.0828 numMergedOcc 0
26 mol 139 unq 0 iso 0 dist 9.99665 7.6075 8.27507 5.59935 9.75151 10.8123 numMergedOcc 0
27 mol 139 unq 0 iso 1 dist 8.27507 7.6075 9.99665 10.8123 9.75151 5.59935 numMergedOcc 0
28 mol 183 unq 0 iso 0 dist 9.92635 3.75614 7.85507 13.34 6.21267 9.98606 numMergedOcc 0
29 mol 183 unq 0 iso 1 dist 7.85507 3.75614 9.92635 9.98606 6.21267 13.34 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 9.92635 3.75614 7.85507 13.9426 7.41743 11.9935 numMergedOcc 0
31 mol 183 unq 1 iso 1 dist 7.85507 3.75614 9.92635 11.9935 7.41743 13.9426 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 5.79753 10.6986 7.56537 12.1167 8.51118 5.79567 numMergedOcc 0
33 mol 197 unq 0 iso 1 dist 7.56537 10.6986 5.79753 5.79567 8.51118 12.1167 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 7.19213 3.78668 5.67196 5.55359 7.00683 4.72843 numMergedOcc 0
35 mol 204 unq 0 iso 1 dist 5.67196 3.78668 7.19213 4.72843 7.00683 5.55359 numMergedOcc 0
36 mol 245 unq 0 iso 0 dist 8.91609 4.13941 6.58637 6.62389 6.41862 5.43086 numMergedOcc 0
37 mol 245 unq 0 iso 1 dist 6.58637 4.13941 8.91609 5.43086 6.41862 6.62389 numMergedOcc 0
38 mol 245 unq 1 iso 0 dist 8.91609 4.13941 6.58637 5.74952 9.85927 8.73552 numMergedOcc 0
39 mol 245 unq 1 iso 1 dist 6.58637 4.13941 8.91609 8.73552 9.85927 5.74952 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 7.279 4.32316 8.43448 5.4063 4.46389 5.26413 numMergedOcc 0
41 mol 249 unq 0 iso 1 dist 8.43448 4.32316 7.279 5.26413 4.46389 5.4063 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 7.97113 5.25523 8.38479 6.92619 8.91916 11.3266 numMergedOcc 0
43 mol 259 unq 0 iso 1 dist 8.38479 5.25523 7.97113 11.3266 8.91916 6.92619 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 5.22111 5.25523 8.53598 9.98638 9.45077 12.9823 numMergedOcc 0
45 mol 259 unq 1 iso 1 dist 8.53598 5.25523 5.22111 12.9823 9.45077 9.98638 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 5.22111 5.25523 8.53598 6.92619 4.55368 11.3266 numMergedOcc 0
47 mol 259 unq 2 iso 1 dist 8.53598 5.25523 5.22111 11.3266 4.55368 6.92619 numMergedOcc 0
48 mol 264 unq 0 iso 0 dist 8.05522 14.4112 9.8799 11.7681 7.61232 4.93509 numMergedOcc 0
49 mol 264 unq 0 iso 1 dist 9.8799 14.4112 8.05522 4.93509 7.61232 11.7681 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 9.33447 6.47501 3.90274 7.61055 5.28417 5.01049 numMergedOcc 0
51 mol 266 unq 0 iso 1 dist 3.90274 6.47501 9.33447 5.01049 5.28417 7.61055 numMergedOcc 0
52 mol 279 unq 0 iso 0 dist 4.75866 9.52032 7.87072 12.8228 9.98985 8.51381 numMergedOcc 0
53 mol 279 unq 0 iso 1 dist 7.87072 9.52032 4.75866 8.51381 9.98985 12.8228 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 7.10723 9.41086 6.8664 9.13465 7.02503 7.59724 numMergedOcc 0
55 mol 280 unq 0 iso 1 dist 6.8664 9.41086 7.10723 7.59724 7.02503 9.13465 numMergedOcc 0
56 mol 280 unq 1 iso 0 dist 7.10723 9.41086 6.8664 14.2183 9.18164 7.88431 numMergedOcc 0
57 mol 280 unq 1 iso 1 dist 6.8664 9.41086 7.10723 7.88431 9.18164 14.2183 numMergedOcc 0
58 mol 283 unq 0 iso 0 dist 8.80555 10.8201 8.80418 9.35698 7.88405 6.27944 numMergedOcc 0
59 mol 283 unq 0 iso 1 dist 8.80418 10.8201 8.80555 6.27944 7.88405 9.35698 numMergedOcc 0
