0 mol 10 unq 0 iso 0 dist 9.09758 10.1382 5.40169 10.2624 3.92592 6.02543 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.12171 7.70921 6.2004 10.3879 6.86136 6.01284 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.12171 7.70921 6.2004 10.059 7.31321 9.45579 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.01238 16.9951 9.5053 12.4597 4.76998 6.38243 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.01382 5.60142 5.53589 12.2226 6.23298 7.4515 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 7.77386 4.84866 5.53589 9.6401 6.23298 7.4515 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.29701 3.74136 7.62611 9.43355 14.9656 7.8435 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.29701 3.74136 7.62611 5.64141 11.5397 5.99269 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 7.29701 3.74136 7.62611 5.46186 5.43515 5.71763 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.65287 4.91324 6.95405 13.0221 10.3272 8.24966 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.9967 14.2635 8.50562 19.1187 10.9311 6.78801 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 6.6094 5.78019 7.25644 8.73613 3.88427 9.43989 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 9.70579 7.70253 7.25644 13.4178 3.88427 9.43989 numMergedOcc 0
13 mol 147 unq 2 iso 0 dist 8.514 9.29701 7.25644 11.453 3.88427 9.43989 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 8.94488 8.77064 5.8628 11.8779 4.09908 5.48379 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.77211 7.74227 7.02575 9.22792 8.65911 7.04815 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 7.77211 7.74227 7.02575 5.00402 3.87082 6.07389 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 7.06538 10.5008 8.43187 15.4572 11.3625 7.39445 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 7.5257 3.93821 8.57986 9.03626 7.91487 6.25813 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 8.68638 5.50333 7.21655 6.66615 13.0036 7.14086 numMergedOcc 0
