0 mol 16 unq 0 iso 0 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 10.454 6.56335 15.6697 15.8645 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.09311 11.6226 6.17155 5.97304 6.60423 9.0934 10.8583 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 9.05357 13.1949 10.3122 5.97304 6.60423 9.0934 14.2818 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 6.58998 6.72502 10.7114 8.24948 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 6.75943 4.96926 5.41726 5.48048 8.44903 10.0649 7.15901 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 6.75943 4.96926 10.0383 5.48048 8.44903 13.5072 7.15901 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.64012 9.4099 6.47414 9.08221 4.00553 8.55984 6.37648 7.27383 12.5444 6.87028 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.7068 6.36397 4.41789 5.08358 8.00777 7.1589 10.7316 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.7068 6.36397 5.59906 5.08358 8.00777 11.2808 10.7316 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 6.19965 7.95579 4.26409 7.7068 4.41789 6.36397 5.08358 7.1589 8.00777 10.7316 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 6.19965 7.66905 6.9948 7.7068 4.41789 5.59906 5.08358 7.1589 11.2808 10.7316 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 6.4497 5.72642 10.9734 10.6602 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.11741 9.33865 8.02349 6.39384 6.07067 6.63111 6.08806 5.74857 10.9766 10.3973 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 7.88312 7.30858 11.5723 7.69765 11.835 10.3209 7.21418 5.74857 10.0289 14.0614 numMergedOcc 0
14 mol 115 unq 3 iso 0 dist 7.88312 7.30858 11.5723 9.42082 6.07067 15.3161 7.21418 5.74857 10.0289 10.3973 numMergedOcc 0
15 mol 115 unq 4 iso 0 dist 7.88312 5.83991 8.02349 7.69765 11.835 4.48636 7.21418 5.74857 10.9766 14.0614 numMergedOcc 0
16 mol 115 unq 5 iso 0 dist 7.88312 5.83991 8.02349 9.42082 6.07067 6.63111 7.21418 5.74857 10.9766 10.3973 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 8.77023 13.0405 13.7612 5.74088 6.76699 11.1595 11.9059 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 6.29155 8.00618 11.965 8.77023 13.0405 15.0115 5.74088 6.76699 10.5656 11.9059 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.33094 7.41373 10.8635 9.4027 8.20836 10.873 5.11043 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 9.33094 7.41373 12.3479 9.4027 8.20836 13.846 5.11043 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 9.33094 12.3479 7.41373 8.46636 5.53031 13.9396 15.5709 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 6.49416 6.37586 5.00817 9.33094 12.3479 10.8635 8.46636 5.53031 10.1537 15.5709 numMergedOcc 0
23 mol 134 unq 4 iso 0 dist 9.86662 9.71307 5.49782 9.1998 12.8086 15.0225 5.12325 8.20836 10.873 6.99345 numMergedOcc 0
24 mol 134 unq 5 iso 0 dist 9.86662 9.71307 5.49782 8.69531 7.41373 10.8635 5.12325 8.20836 10.873 5.11043 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 6.70693 4.94983 5.39112 5.59336 8.35555 10.4911 7.1069 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 6.70693 4.94983 9.67475 5.59336 8.35555 13.0858 7.1069 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 13.8722 6.51749 15.2991 16.2165 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 6.52816 9.49403 13.514 5.28092 8.44861 5.60393 10.183 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 6.52816 9.49403 3.56269 5.28092 8.44861 11.3521 10.183 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 7.26832 6.03031 7.38516 6.52816 13.514 9.49403 5.28092 5.60393 8.44861 10.183 numMergedOcc 0
31 mol 205 unq 3 iso 0 dist 7.26832 7.80463 13.8543 6.52816 13.514 3.56269 5.28092 5.60393 11.3521 10.183 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 6.74196 8.84507 12.8595 6.42798 7.862 12.5287 7.97027 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 8.36842 6.02502 12.5866 6.42798 7.862 12.5287 4.9876 numMergedOcc 0
34 mol 222 unq 2 iso 0 dist 6.00706 7.54212 6.8425 9.75472 5.18677 11.9567 6.42798 7.862 12.5287 8.23353 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 10.5813 8.03442 12.2278 9.43618 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 9.63573 5.21606 7.20604 5.60748 8.55558 10.5803 12.8954 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 7.46176 7.88519 6.96053 7.66153 11.8896 8.8603 5.60748 8.55558 10.5803 13.1388 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 7.46176 7.84554 7.64658 9.63573 5.21606 5.05362 5.60748 8.55558 12.4037 12.8954 numMergedOcc 0
39 mol 259 unq 3 iso 0 dist 7.46176 7.84554 7.64658 7.66153 11.8896 5.8801 5.60748 8.55558 12.4037 13.1388 numMergedOcc 0
40 mol 259 unq 4 iso 0 dist 7.46176 9.18903 10.5239 9.63573 5.21606 7.46841 5.60748 8.55558 14.4498 12.8954 numMergedOcc 0
41 mol 259 unq 5 iso 0 dist 7.46176 9.18903 10.5239 7.66153 11.8896 5.81576 5.60748 8.55558 14.4498 13.1388 numMergedOcc 0
