0 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 8.44664 7.6844 14.1496 14.8647 13.0098 6.61696 20.4659 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 8.44664 7.6844 14.1496 5.11636 8.24948 5.80953 12.8213 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 9.44691 7.05541 9.62033 14.8647 13.0098 6.61696 15.3807 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.72502 8.60554 6.99746 9.44691 7.05541 9.62033 5.11636 8.24948 5.80953 11.7489 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.72502 8.44664 7.6844 8.60554 6.99746 14.1496 4.79736 11.2038 9.98592 13.0764 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.72502 8.44664 7.6844 9.44691 7.05541 10.4263 4.79736 11.2038 9.98592 13.2105 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 6.72502 9.44691 7.05541 8.60554 6.99746 9.62033 14.4081 13.5399 9.586 9.84204 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 6.72502 9.44691 7.05541 8.44664 7.6844 10.4263 14.4081 13.5399 9.586 19.2261 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 4.93188 6.73939 10.0715 8.70827 9.75636 15.0804 15.4313 18.97 9.85784 22.5395 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 4.93188 6.73939 10.0715 8.70827 9.75636 15.0804 14.1829 18.1962 9.87996 20.2392 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 7.92503 6.61233 12.7398 5.63212 12.3361 5.20109 13.0308 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 6.6492 7.45383 11.7817 9.01548 9.12941 12.6805 6.47509 12.8378 5.20109 12.506 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 8.03372 4.97175 4.53459 9.36851 6.84211 5.41583 6.16616 13.4823 9.35533 12.8649 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 8.91301 15.0315 4.30566 4.78563 13.1913 5.06564 7.5373 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 7.78652 15.0801 4.30566 4.78563 13.1913 7.5373 5.06564 numMergedOcc 0
15 mol 143 unq 2 iso 0 dist 7.63338 7.78652 11.5146 8.91301 13.434 4.30566 4.78563 10.6706 5.06564 7.5373 numMergedOcc 0
16 mol 143 unq 3 iso 0 dist 7.63338 8.91301 13.434 7.78652 11.5146 4.30566 4.78563 10.6706 7.5373 5.06564 numMergedOcc 0
17 mol 143 unq 4 iso 0 dist 9.03707 7.78652 8.97873 8.91301 6.29542 4.30566 4.78563 10.8457 5.06564 7.5373 numMergedOcc 0
18 mol 143 unq 5 iso 0 dist 9.03707 8.91301 6.29542 7.78652 8.97873 4.30566 4.78563 10.8457 7.5373 5.06564 numMergedOcc 0
19 mol 143 unq 6 iso 0 dist 7.25673 7.78652 6.60479 8.91301 7.54337 4.30566 4.78563 8.612 5.06564 7.5373 numMergedOcc 0
20 mol 143 unq 7 iso 0 dist 7.25673 8.91301 7.54337 7.78652 6.60479 4.30566 4.78563 8.612 7.5373 5.06564 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 7.25742 8.4858 7.97232 9.17787 10.3427 7.73341 4.48323 6.07821 9.35202 12.5346 numMergedOcc 0
22 mol 170 unq 0 iso 0 dist 8.15099 6.35982 7.29587 7.51126 8.73585 6.24983 4.78249 5.13268 6.47164 9.65126 numMergedOcc 0
23 mol 170 unq 1 iso 0 dist 8.15099 7.51126 8.73585 6.35982 7.29587 6.24983 4.78249 5.13268 9.65126 6.47164 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.1344 5.90358 3.98338 9.35703 11.1022 9.34834 13.0134 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 8.1344 5.90358 3.98338 9.14311 10.6118 5.74846 9.37868 numMergedOcc 0
26 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 6.71356 5.90358 3.98338 14.4375 11.1022 9.34834 13.0134 numMergedOcc 0
27 mol 171 unq 3 iso 0 dist 5.10618 8.24693 6.29877 6.71356 5.90358 3.98338 13.6262 10.6118 5.74846 9.37868 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 8.10214 5.87427 9.01338 9.71636 7.79115 8.66624 11.506 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 5.97754 9.996 8.64056 9.94082 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 4.66791 6.72182 9.00322 11.2491 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 6.95086 6.74112 9.90317 5.41635 6.34234 6.22742 10.8593 numMergedOcc 0
32 mol 212 unq 0 iso 0 dist 6.29767 8.69988 12.8059 9.74144 9.75095 12.5482 3.9436 5.50658 9.10288 12.0526 numMergedOcc 0
33 mol 212 unq 1 iso 0 dist 6.29767 8.69988 12.8059 8.55903 10.7914 6.18191 3.9436 5.50658 9.10288 6.19798 numMergedOcc 0
34 mol 212 unq 2 iso 0 dist 6.29767 8.69988 12.8059 7.15603 9.63281 7.34372 3.9436 5.50658 9.10288 9.32123 numMergedOcc 0
35 mol 212 unq 3 iso 0 dist 6.29767 8.55903 10.7914 9.74144 9.75095 15.0034 3.9436 5.50658 6.19798 12.0526 numMergedOcc 0
36 mol 212 unq 4 iso 0 dist 6.29767 8.55903 10.7914 8.69988 12.8059 6.18191 3.9436 5.50658 6.19798 9.10288 numMergedOcc 0
37 mol 212 unq 5 iso 0 dist 6.29767 8.55903 10.7914 7.15603 9.63281 10.7093 3.9436 5.50658 6.19798 9.32123 numMergedOcc 0
38 mol 212 unq 6 iso 0 dist 8.74585 8.69988 4.21442 9.74144 15.1535 12.5482 3.9436 9.22129 9.10288 12.0526 numMergedOcc 0
39 mol 212 unq 7 iso 0 dist 8.74585 8.69988 4.21442 8.55903 6.69225 6.18191 3.9436 9.22129 9.10288 6.19798 numMergedOcc 0
40 mol 212 unq 8 iso 0 dist 8.74585 8.69988 4.21442 7.15603 10.1399 7.34372 3.9436 9.22129 9.10288 9.32123 numMergedOcc 0
41 mol 212 unq 9 iso 0 dist 8.74585 8.55903 6.69225 9.74144 15.1535 15.0034 3.9436 9.22129 6.19798 12.0526 numMergedOcc 0
42 mol 212 unq 10 iso 0 dist 8.74585 8.55903 6.69225 8.69988 4.21442 6.18191 3.9436 9.22129 6.19798 9.10288 numMergedOcc 0
43 mol 212 unq 11 iso 0 dist 8.74585 8.55903 6.69225 7.15603 10.1399 10.7093 3.9436 9.22129 6.19798 9.32123 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 5.41321 4.59123 11.362 5.0317 9.43618 9.18728 8.91971 numMergedOcc 0
45 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 7.43071 12.8075 11.362 5.0317 9.43618 8.91971 9.18728 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 9.007 7.32499 5.76537 6.30154 7.82953 10.0708 13.1872 10.0117 7.77911 14.1037 numMergedOcc 0
