0 mol 27 unq 0 iso 0 dist 9.19658 9.76721 3.71141 7.96851 9.58751 9.52155 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.19658 9.76721 3.71141 8.62174 10.9454 9.16319 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 5.67098 7.11102 4.30611 3.97946 5.42296 6.28905 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 8.58218 8.48054 4.30611 7.82134 5.42296 6.28905 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.17564 8.11934 10.9396 4.82623 7.92479 6.10199 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 5.82918 6.64933 5.62882 4.56066 9.3522 9.06249 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.30724 9.64544 3.96397 9.79765 6.18681 9.33968 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 9.29817 4.78944 9.40378 8.19217 15.1423 9.60854 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 5.44714 7.3324 3.85992 13.8072 9.69937 8.46167 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 5.44714 7.3324 3.85992 8.67805 5.45882 6.13175 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 5.44714 7.3324 3.85992 6.03962 4.57487 4.34107 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 7.50886 6.8458 9.35355 5.21212 11.6024 5.45716 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 7.25217 6.8458 5.27716 5.21212 8.61909 5.45716 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 9.554 5.81126 6.22559 3.62053 11.5227 6.79615 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 8.60027 6.83972 7.99366 5.80135 12.2812 8.22259 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.31632 9.67328 6.30764 9.74857 9.81165 9.66947 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 7.31632 9.67328 6.30764 5.83113 7.74029 5.69652 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 9.91294 6.38964 5.27054 10.3421 11.6006 7.51798 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 9.20119 6.96758 10.9494 3.81283 11.8274 7.89625 numMergedOcc 0
19 mol 286 unq 0 iso 0 dist 8.39965 8.95266 14.0605 9.30848 15.9531 6.87255 numMergedOcc 0
