0 mol 59 unq 0 iso 0 dist 4.67917 9.00229 11.0325 12.9552 17.1768 9.75265 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 5.81747 9.00229 10.9658 12.9552 15.3294 9.75265 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.4022 8.09199 7.19147 4.16711 7.5434 5.91259 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 5.96486 9.08307 5.65355 4.57548 8.9672 9.48146 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.36326 9.65047 16.7208 16.8321 23.9988 9.64673 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.84249 7.15985 11.6091 12.3624 18.6314 9.90769 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.0455 9.28278 5.56946 4.74644 6.65878 8.00624 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.0455 8.78082 6.10584 4.74644 6.65878 8.42289 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.12336 5.86531 5.37072 4.98521 9.73038 9.47554 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 7.12336 9.50322 6.26797 15.9933 12.4361 9.1146 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 7.10223 6.23399 5.5065 3.82471 8.65008 6.36439 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 6.91762 4.44292 5.01007 5.49557 8.02356 8.57712 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 9.04757 9.63873 4.12904 9.20952 9.24754 8.32426 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 8.59783 6.07091 9.22906 4.78402 12.2975 7.73971 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 9.94201 9.66407 6.1294 4.84752 11.9467 8.93118 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 8.39718 7.1027 4.28574 3.90063 9.01553 7.71517 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 7.81168 9.36086 12.368 10.7172 13.7054 6.82787 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 7.82564 9.94315 5.65577 5.64173 5.83514 4.80834 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 9.51177 8.59074 5.65577 4.11566 5.83514 4.80834 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 9.91136 9.94315 10.5703 5.64173 10.0299 4.80834 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 5.06669 7.65388 11.6777 8.49995 11.1378 9.21656 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 5.65248 7.65388 7.45211 8.49995 11.909 9.21656 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 6.40339 6.37672 9.9244 7.08836 11.5106 6.26142 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.37512 9.59174 8.27707 9.2365 11.4159 7.57187 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 8.37512 5.73834 4.16729 5.66907 12.5673 9.04358 numMergedOcc 0
