0 mol 16 unq 0 iso 0 dist 9.57671 9.91407 7.65729 10.3914 8.4361 5.64581 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 9.46542 11.2046 9.77521 6.67111 7.47342 5.39896 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.22514 9.45804 6.10175 5.77448 6.54183 10.1356 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.06502 13.4735 9.68277 5.56506 8.53393 9.74045 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 8.06502 13.4735 9.68277 4.81535 5.57265 10.1493 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.04064 6.18091 8.39015 14.0721 8.44515 10.4263 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.87984 15.5171 8.87856 14.0158 5.85841 6.83826 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 8.87984 15.5171 8.87856 6.35984 7.00285 9.94628 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 8.87984 6.06642 6.2491 14.0158 5.85841 9.30656 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 8.87984 6.06642 6.2491 6.35984 7.00285 5.39087 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 9.0584 6.06642 3.59451 14.0158 6.78839 9.30656 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 9.0584 6.06642 3.59451 6.35984 8.02354 5.39087 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 6.48198 3.75745 8.26758 10.2089 6.26542 10.844 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 6.48198 3.75745 8.26758 13.206 7.02765 14.1618 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 9.61698 8.00525 9.40608 11.7982 6.24392 7.01529 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 8.6371 4.56374 9.74209 8.25136 7.83582 12.1389 numMergedOcc 0
16 mol 140 unq 1 iso 0 dist 8.6371 4.56374 9.74209 11.6664 9.89896 12.4171 numMergedOcc 0
17 mol 140 unq 2 iso 0 dist 8.6371 4.56374 9.74209 13.7568 9.68229 16.7631 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 5.43078 10.5926 8.51265 4.37081 7.34465 13.1327 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 5.43078 10.5926 8.51265 6.23566 9.47675 10.4653 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 7.52211 4.93601 4.95086 6.97147 6.87299 5.90364 numMergedOcc 0
21 mol 203 unq 0 iso 0 dist 9.5818 9.75724 6.8395 9.25769 9.36402 6.78107 numMergedOcc 0
22 mol 212 unq 0 iso 0 dist 9.88141 7.4422 6.41916 15.0762 9.47932 9.7586 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.23348 4.77887 6.04688 5.0425 7.72708 9.50161 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.96325 9.47962 8.34471 5.29393 8.40766 9.45618 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 5.80603 10.7991 7.4294 5.48552 5.75874 6.9607 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 5.80603 9.29663 8.37253 5.48552 5.75874 6.68041 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 8.9413 6.97261 5.10595 4.75685 5.3051 5.11366 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 8.69635 4.62932 8.99974 4.29576 8.78883 8.19222 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 8.69635 4.33461 5.68643 4.29576 8.78883 4.97216 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 8.69635 9.79322 8.36043 4.29576 8.78883 10.2686 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 7.11605 11.1583 9.047 14.3313 8.80588 14.1091 numMergedOcc 0
32 mol 280 unq 1 iso 0 dist 7.11605 15.3737 9.9227 14.3313 8.80588 4.95798 numMergedOcc 0
