0 mol 0 unq 0 iso 0 dist 7.65806 9.72725 6.0225 8.29174 9.67081 14.6538 9.64573 9.19007 6.94943 16.5238 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 9.87885 12.8323 13.5229 7.78327 17.9276 10.2446 7.88043 8.15894 10.6558 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 9.87885 12.8323 13.5229 7.78327 17.9276 12.3097 8.80762 8.45544 13.5227 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 8.66248 7.49157 12.089 6.58998 10.7114 8.24948 15.0537 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 7.95042 5.69214 6.73521 7.73794 10.4905 6.58998 10.7114 8.24948 12.8421 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.80331 6.6263 5.41726 12.6657 9.02471 12.649 7.05402 10.0649 7.15901 17.477 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 6.20293 6.75943 5.41726 14.0654 9.02471 12.649 5.48048 10.0649 7.15901 17.477 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.64012 9.08221 4.00553 5.87468 6.79356 9.10675 6.37648 7.27383 6.87028 6.21346 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 17.4771 8.85601 13.1158 6.08245 6.61823 6.9223 13.129 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.33898 7.06939 4.3481 17.4771 8.85601 13.1158 6.86728 6.49956 7.0561 12.8901 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 9.64443 9.36001 5.31547 10.2467 8.85601 10.9088 7.24315 6.61823 6.98037 13.129 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 8.29813 7.92856 11.36 7.32662 7.26086 8.75597 8.67903 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 8.29813 7.92856 11.36 12.3881 12.285 9.18457 18.9895 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 13.2057 7.92856 11.36 13.4985 7.26086 8.75597 8.67903 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 13.2057 7.92856 11.36 7.89505 12.285 9.18457 18.9895 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 12.7473 7.92856 17.395 13.9572 15.6191 6.83746 22.522 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 12.7473 7.92856 17.395 13.1975 12.285 9.14707 18.9895 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 12.7473 7.92856 11.36 6.934 7.26086 8.75597 8.67903 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 12.7473 7.92856 11.36 13.1975 12.285 9.18457 18.9895 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 4.69658 6.87434 5.92828 8.56707 6.43433 4.99604 4.25001 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 5.99315 5.40637 7.39837 6.75249 8.64905 6.60366 10.8441 13.4668 8.68663 5.42311 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 5.99315 5.37047 4.78563 9.14188 8.99891 12.5751 9.23795 7.25673 8.612 12.6218 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 4.68615 6.79114 8.60651 5.59336 8.35555 7.1069 4.78989 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 5.87555 6.70693 4.94983 4.73288 7.59457 10.6225 5.59336 8.35555 7.1069 9.43672 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 8.56324 6.59889 5.39112 12.2243 9.00072 10.6225 7.2238 10.4911 7.1069 9.43672 numMergedOcc 0
25 mol 152 unq 3 iso 0 dist 6.70283 6.70693 5.39112 4.73288 9.00072 10.6225 5.59336 10.4911 7.1069 9.43672 numMergedOcc 0
26 mol 152 unq 4 iso 0 dist 8.67331 6.70693 9.67475 4.73288 7.55419 10.6225 5.59336 13.0858 7.1069 9.43672 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 6.69288 7.06025 6.42973 4.69387 4.72821 9.15383 10.1489 4.92088 8.25282 8.56547 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 7.26832 6.52816 13.514 13.3822 7.13783 19.8921 5.54129 10.0424 7.53395 15.9865 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 4.32238 4.43499 10.5638 13.1624 18.6283 8.88763 17.3681 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 4.32238 4.43499 10.5638 7.34872 13.3923 6.43209 11.0679 numMergedOcc 0
31 mol 239 unq 2 iso 0 dist 6.16342 6.73665 10.6736 4.32238 4.43499 10.5638 8.9361 13.1682 8.48769 10.6586 numMergedOcc 0
