0 mol 12 unq 0 iso 0 dist 7.68446 6.65672 6.1378 4.80294 7.99569 9.8142 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.78749 5.42968 10.0962 6.2838 8.3964 7.85986 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.78749 5.94343 8.56474 11.9306 13.4394 7.03544 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.78749 5.94343 8.56474 6.2838 8.3964 4.30252 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 4.32337 6.78857 4.28628 6.99697 9.53334 8.37681 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.09042 8.32519 7.31044 5.40878 10.3526 8.21895 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.40582 8.37507 5.63423 16.6073 14.1155 9.69694 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.29309 5.58102 7.22521 9.96768 16.2375 9.90672 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.29309 5.58102 7.22521 5.91879 7.48563 7.55367 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 7.90927 9.00369 12.4961 11.7136 17.1252 6.07633 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 6.7095 9.00369 6.04036 11.7136 9.2062 6.07633 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 7.94925 9.38 8.12622 10.172 7.61237 7.4442 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.3097 5.96324 11.8994 10.7523 18.7074 9.62774 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.3097 9.22913 5.93647 14.894 8.71007 6.75593 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 9.88722 9.81333 14.8075 5.58576 10.8879 8.34477 numMergedOcc 0
15 mol 188 unq 1 iso 0 dist 9.88722 9.81333 14.8075 13.977 17.2481 8.4784 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 7.53036 8.42431 14.3699 6.43152 10.0443 5.17607 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 7.16232 7.65636 11.2023 5.69979 10.2312 8.73192 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 9.79826 8.80049 4.96278 5.83733 12.1701 9.31434 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 6.93654 8.55479 4.0136 11.7392 10.2519 9.41212 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 9.66298 8.55479 4.30068 11.7392 6.45102 9.41212 numMergedOcc 0
