0 mol 26 unq 0 iso 0 dist 9.63803 6.29311 6.73167 6.88695 8.25132 5.69955 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.63803 6.29311 6.73167 14.2765 7.73394 8.6385 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.90986 14.6525 6.38243 9.7522 7.11305 8.44506 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.01601 9.13337 7.17026 10.3722 6.08003 8.64015 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.43496 12.2875 6.9223 9.96037 4.3481 6.61823 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.43496 4.98638 7.0561 9.96037 4.3481 6.49956 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.3505 8.89866 8.75597 5.9747 3.9764 7.26086 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 4.49975 5.71094 6.46343 4.99966 4.65519 9.44561 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.31773 4.92962 8.4965 5.02717 5.03039 5.72642 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 5.90003 10.4469 9.6121 11.7745 6.9194 7.77116 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.76097 5.57319 9.05336 12.1776 6.11469 8.56003 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.78303 4.02705 5.11043 9.60369 4.46337 7.36779 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.78303 4.02705 5.11043 9.55556 7.41373 8.20836 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 6.51523 14.0377 8.999 10.1874 4.00127 9.11712 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 7.6482 6.40978 7.79115 11.4309 9.71636 8.57261 numMergedOcc 0
15 mol 207 unq 0 iso 0 dist 6.50724 8.626 8.78061 16.2487 14.0642 8.32218 numMergedOcc 0
16 mol 207 unq 1 iso 0 dist 6.50724 8.626 8.78061 10.0544 4.56899 7.96797 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 5.03184 6.8255 5.50658 9.90588 6.47488 8.57827 numMergedOcc 0
18 mol 212 unq 1 iso 0 dist 5.03184 6.8255 5.50658 5.87223 3.9436 6.29767 numMergedOcc 0
19 mol 212 unq 2 iso 0 dist 5.03184 8.90296 9.22129 5.87223 3.9436 8.74585 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 7.25438 9.67929 4.98402 16.4096 9.9875 8.87609 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.79884 7.06191 5.28771 9.96308 4.1511 8.38865 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.79884 7.06191 5.28771 9.95674 4.69247 5.4694 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 8.98005 4.97784 7.07833 11.3536 9.70574 6.41286 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.13727 12.1653 6.53286 11.2561 4.48415 5.52379 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 8.56975 12.2456 6.53286 12.9412 4.48415 5.52379 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 9.13546 5.7394 6.02757 7.36905 5.71153 7.52281 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 9.13546 5.7394 6.02757 6.83408 6.56539 6.42588 numMergedOcc 0
28 mol 264 unq 2 iso 0 dist 8.7365 5.7394 8.67231 7.36905 6.87635 7.52281 numMergedOcc 0
29 mol 264 unq 3 iso 0 dist 8.7365 5.7394 8.67231 6.83408 4.76241 6.42588 numMergedOcc 0
30 mol 264 unq 4 iso 0 dist 7.19658 6.63115 6.02757 11.1873 5.71153 7.52281 numMergedOcc 0
31 mol 264 unq 5 iso 0 dist 7.19658 6.63115 6.02757 10.6712 6.56539 6.42588 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.22195 5.70666 8.20485 8.59986 4.74189 7.71657 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 8.41945 4.49604 5.8304 12.1781 6.5644 8.29305 numMergedOcc 0
34 mol 279 unq 1 iso 0 dist 8.41945 4.49604 5.8304 9.34347 9.40912 6.43341 numMergedOcc 0
