0 mol 4 unq 0 iso 0 dist 7.72767 7.29958 7.09907 8.31947 8.57798 12.8788 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 6.15129 5.78755 9.03144 8.56723 8.96415 4.4478 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.87633 9.04858 9.73488 5.12015 6.17181 7.79978 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.99189 3.98395 9.06225 18.1817 9.45905 17.6911 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.94097 10.3277 9.06225 17.0116 9.45905 17.6911 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.83159 8.97165 8.71103 5.46998 7.62846 7.96805 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.41492 4.72156 7.66832 14.8679 9.0224 14.084 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 8.41492 3.90222 8.11083 14.8679 9.0224 12.1102 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 5.74521 4.62381 5.28955 4.13385 8.09095 4.07356 numMergedOcc 0
9 mol 136 unq 0 iso 0 dist 9.73117 4.90618 9.87222 5.3281 8.82556 8.43256 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.55517 13.7072 9.71223 5.73453 8.43722 9.45075 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 9.64616 14.3595 8.68803 16.7408 9.05655 9.67509 numMergedOcc 0
12 mol 257 unq 0 iso 0 dist 9.77089 6.46221 8.43067 14.7809 6.75578 11.5712 numMergedOcc 0
13 mol 257 unq 1 iso 0 dist 9.77089 6.85005 7.6127 14.7809 6.75578 9.42674 numMergedOcc 0
14 mol 257 unq 2 iso 0 dist 6.82161 6.83442 9.02271 5.42185 6.75578 11.2757 numMergedOcc 0
15 mol 257 unq 3 iso 0 dist 6.82161 6.83442 9.02271 5.18034 9.29499 8.87721 numMergedOcc 0
16 mol 257 unq 4 iso 0 dist 5.97154 6.62684 9.02271 10.7668 6.75578 11.2757 numMergedOcc 0
17 mol 257 unq 5 iso 0 dist 5.97154 6.62684 9.02271 10.3029 9.29499 8.87721 numMergedOcc 0
18 mol 257 unq 6 iso 0 dist 8.4903 10.5563 9.02271 10.7145 6.75578 11.2757 numMergedOcc 0
19 mol 257 unq 7 iso 0 dist 8.4903 10.5563 9.02271 9.91018 9.29499 8.87721 numMergedOcc 0
20 mol 257 unq 8 iso 0 dist 8.04644 11.8018 9.02271 12.8019 6.75578 11.2757 numMergedOcc 0
21 mol 257 unq 9 iso 0 dist 8.04644 11.8018 9.02271 13.3586 9.29499 8.87721 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.09059 5.0262 5.45793 6.9617 9.29355 5.45575 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 6.09059 5.0262 5.45793 6.41332 7.87978 7.04297 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 6.09059 5.0262 5.45793 7.10065 6.13752 6.13878 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 7.64578 5.90162 9.86356 8.7019 9.68579 3.99717 numMergedOcc 0
26 mol 294 unq 1 iso 0 dist 5.85292 8.68297 9.86356 10.8231 9.68579 3.99717 numMergedOcc 0
27 mol 294 unq 2 iso 0 dist 6.28096 5.90162 6.42303 8.7019 8.60714 3.99717 numMergedOcc 0
