0 mol 7 unq 0 iso 0 dist 8.98901 8.75465 7.98039 8.00249 8.97003 4.80709 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.98901 8.00249 8.97003 8.75465 7.98039 4.80709 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.4649 8.1133 12.14 8.44727 12.9864 9.86529 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 9.4649 8.44727 12.9864 8.1133 12.14 9.86529 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 6.45965 8.1133 10.8265 8.44727 3.91445 9.86529 numMergedOcc 0
5 mol 18 unq 1 iso 1 dist 6.45965 8.44727 3.91445 8.1133 10.8265 9.86529 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 9.12062 5.39587 13.3334 6.47252 8.73415 11.6209 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 9.12062 6.47252 8.73415 5.39587 13.3334 11.6209 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 9.2794 8.63204 11.0976 5.4014 6.92915 4.97731 numMergedOcc 0
9 mol 70 unq 0 iso 1 dist 9.2794 5.4014 6.92915 8.63204 11.0976 4.97731 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 4.45006 7.49235 3.91263 7.19431 5.59024 5.21654 numMergedOcc 0
11 mol 93 unq 0 iso 1 dist 4.45006 7.19431 5.59024 7.49235 3.91263 5.21654 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.35364 7.84956 10.5689 8.57607 17.1595 10.3056 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 9.35364 8.57607 17.1595 7.84956 10.5689 10.3056 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 9.35364 7.84956 10.5689 6.1991 15.0045 9.77913 numMergedOcc 0
15 mol 95 unq 1 iso 1 dist 9.35364 6.1991 15.0045 7.84956 10.5689 9.77913 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 9.35364 7.84956 10.5689 5.96246 10.1179 7.51315 numMergedOcc 0
17 mol 95 unq 2 iso 1 dist 9.35364 5.96246 10.1179 7.84956 10.5689 7.51315 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 9.35364 8.57607 17.1595 6.1991 15.0045 6.27231 numMergedOcc 0
19 mol 95 unq 1 iso 1 dist 9.35364 6.1991 15.0045 8.57607 17.1595 6.27231 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 9.35364 8.57607 17.1595 5.96246 10.1179 11.734 numMergedOcc 0
21 mol 95 unq 2 iso 1 dist 9.35364 5.96246 10.1179 8.57607 17.1595 11.734 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 9.35364 6.1991 15.0045 5.96246 10.1179 6.95874 numMergedOcc 0
23 mol 95 unq 2 iso 1 dist 9.35364 5.96246 10.1179 6.1991 15.0045 6.95874 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.78 8.8639 8.60388 7.32009 10.0489 3.62051 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 8.78 7.32009 10.0489 8.8639 8.60388 3.62051 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.51189 6.04336 9.03587 9.00537 12.4735 7.15345 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 9.51189 9.00537 12.4735 6.04336 9.03587 7.15345 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 9.19343 7.59666 4.98276 6.51936 3.72636 6.1208 numMergedOcc 0
29 mol 204 unq 0 iso 1 dist 9.19343 6.51936 3.72636 7.59666 4.98276 6.1208 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 8.95136 9.71147 11.9786 6.32553 10.0544 8.01847 numMergedOcc 0
31 mol 205 unq 0 iso 1 dist 8.95136 6.32553 10.0544 9.71147 11.9786 8.01847 numMergedOcc 0
32 mol 233 unq 0 iso 0 dist 8.36772 9.00218 6.88396 6.0751 6.41724 5.11832 numMergedOcc 0
33 mol 233 unq 0 iso 1 dist 8.36772 6.0751 6.41724 9.00218 6.88396 5.11832 numMergedOcc 0
34 mol 233 unq 1 iso 0 dist 8.83541 9.00218 8.71119 6.0751 10.8172 5.11832 numMergedOcc 0
35 mol 233 unq 1 iso 1 dist 8.83541 6.0751 10.8172 9.00218 8.71119 5.11832 numMergedOcc 0
36 mol 233 unq 2 iso 0 dist 7.55878 9.00218 3.66075 6.0751 3.98113 5.11832 numMergedOcc 0
37 mol 233 unq 2 iso 1 dist 7.55878 6.0751 3.98113 9.00218 3.66075 5.11832 numMergedOcc 0
38 mol 260 unq 0 iso 0 dist 7.46 6.79386 9.22751 6.19564 6.73886 3.64495 numMergedOcc 0
39 mol 260 unq 0 iso 1 dist 7.46 6.19564 6.73886 6.79386 9.22751 3.64495 numMergedOcc 0
40 mol 260 unq 1 iso 0 dist 6.71406 6.79386 5.47193 6.19564 5.38205 3.64495 numMergedOcc 0
41 mol 260 unq 1 iso 1 dist 6.71406 6.19564 5.38205 6.79386 5.47193 3.64495 numMergedOcc 0
