0 mol 0 unq 0 iso 0 dist 7.20999 7.08361 6.91778 4.21143 9.67081 5.8463 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 12.1434 8.6653 5.24477 7.03372 10.3493 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 5.26018 5.09324 6.31696 5.02333 6.22221 5.88357 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 7.1203 10.4823 6.31696 10.0938 6.22221 5.88357 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.68311 15.1138 9.27838 4.61081 4.86198 13.6186 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.2147 5.78327 9.81166 11.7519 9.16597 7.98253 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.90776 5.47738 5.37007 7.81379 4.17838 3.77771 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.05602 11.0132 6.65501 12.6133 7.92856 11.6496 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.08014 10.3234 8.8822 6.55681 7.02367 5.40648 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 9.08014 10.3234 8.8822 11.1233 9.30832 15.5674 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 9.08014 9.4626 9.66219 6.55681 7.02367 3.52111 numMergedOcc 0
11 mol 113 unq 3 iso 0 dist 9.08014 9.4626 9.66219 11.1233 9.30832 13.7232 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.85527 7.21894 8.99399 10.6622 7.60162 5.77063 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.99949 10.5805 8.70296 7.51072 8.80895 5.92118 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.99949 8.98062 9.25558 7.51072 8.80895 10.2176 numMergedOcc 0
15 mol 174 unq 0 iso 0 dist 6.04817 10.981 8.87569 5.01986 5.61673 6.65209 numMergedOcc 0
16 mol 174 unq 1 iso 0 dist 6.04817 13.6211 9.87122 5.01986 5.61673 9.87207 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.58792 6.56225 6.22122 8.21964 9.70481 13.4378 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.15806 5.07333 5.44002 8.62303 7.13783 4.76454 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 8.71409 9.069 7.10826 10.8881 6.85824 4.73037 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 9.75141 10.9044 8.14332 10.6214 9.09354 13.1121 numMergedOcc 0
21 mol 213 unq 1 iso 0 dist 9.75141 10.9044 8.14332 6.98052 4.66576 6.78109 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 5.47561 10.3328 7.67576 9.2281 5.1609 3.98604 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 5.47561 15.0445 9.82371 9.2281 5.1609 7.99695 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.95045 4.95971 9.05071 15.2257 8.25985 12.159 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 9.95045 4.95971 9.05071 11.1518 9.27788 8.36223 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.61729 5.66996 8.84636 8.18179 4.43499 5.76503 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 9.68888 5.24149 6.68687 9.19419 5.77749 7.06594 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 7.58272 4.36832 6.62841 9.89274 5.35705 10.5492 numMergedOcc 0
