0 mol 85 unq 0 iso 0 dist 9.9795 11.5334 7.1589 5.20528 9.29301 8.70863 numMergedOcc 0
1 mol 96 unq 0 iso 0 dist 6.21351 7.06723 5.92032 5.19438 5.04559 7.3964 numMergedOcc 0
2 mol 96 unq 1 iso 0 dist 9.93617 11.809 5.92032 11.6393 5.04559 7.3964 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.83528 5.90298 7.26086 11.7625 7.06961 8.43352 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 7.54969 8.8736 7.26086 9.49967 7.06961 8.43352 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.71345 6.51881 6.34525 15.811 12.7083 9.35942 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 5.06555 10.214 8.93905 10.8414 8.2619 6.03352 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 7.34207 6.03671 7.72144 8.85675 5.27847 6.51014 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 8.27794 8.07046 7.20392 13.9347 12.9468 7.11785 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.52413 12.1191 9.83476 10.6368 10.5063 4.5271 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 9.52413 12.1191 9.83476 17.1997 14.4429 7.02575 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 9.79816 10.888 5.76954 11.2292 7.84019 8.3087 numMergedOcc 0
12 mol 218 unq 1 iso 0 dist 9.79816 8.17702 6.29511 11.2292 7.84019 9.32945 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.14644 6.53366 5.45036 11.3009 7.11498 5.37796 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.93754 9.46577 6.6561 15.9151 7.17211 8.20162 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 7.57253 14.1473 7.83711 11.059 4.9377 6.57921 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.2067 5.00301 7.99477 12.2653 13.2927 9.91199 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 6.65233 6.79049 6.14323 9.76928 5.24812 7.21655 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.13226 12.9095 9.56685 6.74022 5.29529 8.2997 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.151 6.63088 6.57903 6.71956 6.28695 7.85414 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.33977 14.3997 6.57903 11.2339 6.28695 7.85414 numMergedOcc 0
