0 mol 11 unq 0 iso 0 dist 9.42607 10.4181 9.52695 13.2938 9.07476 6.76736 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.71245 11.2171 9.32718 3.38988 7.26165 13.7643 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.30547 13.4254 9.27409 13.8332 8.79378 6.67753 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.073 13.0367 7.07989 11.023 8.18214 3.99506 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 9.34288 10.0703 8.91502 11.2122 5.75135 10.4849 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 4.45006 11.3276 7.4518 7.76629 5.10693 4.34681 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 4.45006 11.3276 7.4518 8.52218 6.58814 5.73248 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 4.45006 11.3276 7.4518 3.83191 6.13459 13.5809 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 4.45006 11.3276 7.4518 3.77555 7.54391 14.149 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 4.45006 7.81661 9.1687 7.76629 5.10693 9.11796 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 4.45006 7.81661 9.1687 8.52218 6.58814 7.24672 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 4.45006 7.81661 9.1687 3.83191 6.13459 10.6039 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 4.45006 7.81661 9.1687 3.77555 7.54391 6.48338 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 6.17173 5.91879 8.41411 4.77009 8.73928 3.61204 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 7.92498 5.60987 5.37302 7.50896 7.08403 3.52111 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 8.88867 5.8344 9.49761 9.10228 8.46801 12.2606 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 8.88867 10.172 6.03154 9.10228 8.46801 6.30769 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.74947 10.7523 8.01453 6.34139 6.41183 5.16197 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 9.04436 3.98078 9.62943 10.9436 9.37245 9.10855 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 8.11268 5.50901 5.51388 7.64279 7.33643 3.83687 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 9.53702 7.55807 6.80086 9.6035 7.06555 3.72812 numMergedOcc 0
21 mol 180 unq 0 iso 0 dist 8.6207 6.45407 9.54753 9.32604 6.91244 9.19793 numMergedOcc 0
22 mol 180 unq 1 iso 0 dist 8.6207 7.17938 8.79411 9.32604 6.91244 3.77126 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 5.29176 9.11934 8.62191 5.38864 8.29256 9.07662 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 5.29176 9.11934 8.62191 5.13255 7.8274 7.37577 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.81249 4.69957 6.09838 4.85328 8.61846 8.33563 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 7.46 8.565 5.68717 8.71923 7.88108 3.60349 numMergedOcc 0
27 mol 260 unq 1 iso 0 dist 7.46 8.565 5.68717 9.96926 9.46576 7.28821 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 6.38338 7.53523 7.76945 7.70421 9.1471 3.96271 numMergedOcc 0
29 mol 287 unq 1 iso 0 dist 6.38338 7.53523 7.76945 9.73619 7.84189 5.39801 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 6.38338 7.53523 7.76945 7.70421 9.1471 3.96271 numMergedOcc 0
31 mol 288 unq 1 iso 0 dist 6.38338 7.53523 7.76945 9.73619 7.84189 5.39801 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 6.38338 7.53523 7.76945 7.70421 9.1471 3.96271 numMergedOcc 0
33 mol 289 unq 1 iso 0 dist 6.38338 7.53523 7.76945 9.73619 7.84189 5.39801 numMergedOcc 0
