0 mol 12 unq 0 iso 0 dist 6.65672 4.80294 9.8142 7.68446 6.1378 7.99569 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.42968 6.2838 7.85986 4.78749 10.0962 8.3964 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.94343 6.2838 4.30252 4.78749 8.56474 8.3964 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 6.78857 6.99697 8.37681 4.32337 4.28628 9.53334 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.58102 5.91879 7.55367 7.29309 7.22521 7.48563 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 9.05284 7.30581 9.44645 10.7966 4.4529 7.73086 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.00369 11.7136 6.07633 6.7095 6.04036 9.2062 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 9.86241 14.6527 8.58308 16.8444 8.53743 7.92221 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 9.38 10.172 7.4442 7.94925 8.12622 7.61237 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.22913 14.894 6.75593 8.3097 5.93647 8.71007 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 7.37255 4.63493 4.6512 10.2589 6.50596 7.23059 numMergedOcc 0
11 mol 188 unq 0 iso 0 dist 9.81333 13.977 8.4784 17.0906 8.6599 6.20426 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 8.32382 10.6874 8.91416 15.1661 9.09648 9.07808 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 7.65636 5.69979 8.73192 10.2766 5.1104 9.30143 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 7.57834 6.44245 9.50951 12.6001 11.2466 7.28781 numMergedOcc 0
15 mol 254 unq 1 iso 0 dist 7.57834 6.44245 9.50951 12.2061 11.9928 7.00841 numMergedOcc 0
16 mol 254 unq 2 iso 0 dist 5.75348 10.9422 9.50951 15.3131 11.2466 7.28781 numMergedOcc 0
17 mol 254 unq 3 iso 0 dist 5.75348 10.9422 9.50951 15.4852 11.9928 7.00841 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.82533 8.90141 7.08328 15.3211 11.4354 8.51736 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 8.55479 11.7392 9.41212 9.66298 4.30068 6.45102 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 8.55479 11.7392 9.41212 15.0007 10.2597 9.20425 numMergedOcc 0
