0 mol 20 unq 0 iso 0 dist 9.81561 9.37411 8.92942 6.68339 11.9804 8.38129 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.88078 9.37411 11.253 6.68339 11.4453 8.38129 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.53599 9.37411 12.4229 6.68339 10.7849 8.38129 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.29373 7.45173 4.2509 5.91728 9.14324 8.93792 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.94809 4.9983 10.6352 6.38389 10.5894 4.90093 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.40686 5.38363 14.1026 10.1152 16.4362 7.41719 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 9.40686 5.38363 14.1026 5.74577 10.8749 8.93237 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.35752 5.98764 10.9695 10.5257 12.66 6.8173 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.88238 5.98764 11.0673 10.5257 16.9724 6.8173 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 9.76075 9.83758 12.2767 14.294 14.2902 7.36025 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 5.27549 4.7751 3.3085 7.45509 5.94417 7.78914 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 5.27549 4.7751 3.3085 6.78986 10.2887 9.35938 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 9.40368 6.90456 5.11518 6.42728 12.2368 9.79115 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 7.14034 8.14525 5.11518 12.7246 12.2368 9.79115 numMergedOcc 0
14 mol 136 unq 0 iso 0 dist 9.71323 8.65282 5.34588 6.55527 5.44201 8.11959 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 7.97859 6.4119 3.06927 5.20379 6.00045 5.79144 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 9.28039 8.40522 3.06927 11.3375 6.00045 5.79144 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 8.77346 9.33055 13.0944 10.746 18.7649 9.84051 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 6.28518 7.54599 10.7204 6.16468 10.6212 9.00382 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 8.10339 7.57834 7.5396 9.08626 11.6846 5.0346 numMergedOcc 0
20 mol 254 unq 1 iso 0 dist 8.81893 8.9475 9.85273 5.08307 11.6846 6.64866 numMergedOcc 0
21 mol 254 unq 2 iso 0 dist 8.81893 8.26189 10.1133 5.08307 11.6846 5.39865 numMergedOcc 0
22 mol 254 unq 3 iso 0 dist 8.81893 5.75348 7.5396 5.08307 11.6846 5.0346 numMergedOcc 0
23 mol 254 unq 4 iso 0 dist 8.59635 7.57834 5.90756 9.08626 10.441 5.0346 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 6.57555 5.33881 5.99357 4.11741 7.71093 7.30584 numMergedOcc 0
