0 mol 34 unq 0 iso 0 dist 6.8228 7.20414 4.61141 12.1875 8.28811 11.7301 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 6.8228 7.20414 4.61141 10.8966 6.29253 10.7799 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 5.99463 8.4204 8.81193 6.33328 6.65315 12.0792 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 7.90905 9.39356 5.98956 5.84535 6.53104 7.52142 numMergedOcc 0
4 mol 146 unq 0 iso 0 dist 9.10374 8.73563 4.96984 6.21982 8.48719 6.50043 numMergedOcc 0
5 mol 146 unq 1 iso 0 dist 9.10374 7.92203 7.70916 6.21982 8.48719 9.44952 numMergedOcc 0
6 mol 146 unq 2 iso 0 dist 8.21621 9.64915 4.96984 5.91626 8.48719 6.50043 numMergedOcc 0
7 mol 146 unq 3 iso 0 dist 8.21621 6.75663 6.53228 5.91626 8.48719 11.0556 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 7.03206 6.01599 5.95655 11.5452 9.89595 13.7525 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 7.03206 5.42285 11.691 11.5452 9.89595 16.7202 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 7.41404 9.45718 6.78083 5.07838 9.72962 13.8599 numMergedOcc 0
11 mol 197 unq 1 iso 0 dist 7.41404 9.45718 6.78083 11.0728 9.69154 15.0296 numMergedOcc 0
12 mol 197 unq 2 iso 0 dist 7.41404 8.56826 9.46161 5.07838 9.72962 13.0072 numMergedOcc 0
13 mol 197 unq 3 iso 0 dist 7.41404 8.56826 9.46161 11.0728 9.69154 17.4985 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 7.88734 9.75046 10.4394 9.69815 7.48163 15.2254 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 8.80253 6.73371 10.4394 11.6406 7.48163 15.2254 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 8.99521 8.31751 8.00084 8.44379 5.61473 10.6521 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 6.09318 9.94034 5.93253 9.20205 9.03093 5.88802 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 9.03526 6.9592 15.4281 5.38386 7.05438 11.3284 numMergedOcc 0
19 mol 278 unq 1 iso 0 dist 8.03252 6.9592 9.4448 5.38386 7.08899 11.3284 numMergedOcc 0
