0 mol 2 unq 0 iso 0 dist 9.07013 5.19655 8.80146 6.216 3.89238 7.64304 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.36111 11.1673 8.15894 11.9671 7.12508 5.72491 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.36111 11.1673 8.15894 17.0751 12.8323 7.88043 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.36111 8.71528 8.45544 17.0751 12.8323 8.80762 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 9.22796 4.68566 8.25405 11.9031 5.48225 8.72023 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.56639 10.2375 6.73167 15.3546 8.25132 5.69955 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.56639 10.2375 6.73167 12.0856 7.73394 8.6385 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 5.91948 7.79856 5.07125 9.77018 6.15355 8.63486 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 7.41141 11.5374 9.45329 10.1583 5.74372 7.9814 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.88175 6.89245 9.6121 8.88255 6.9194 7.77116 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.78215 9.01144 6.78801 14.0009 4.57579 9.15431 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.78215 9.01144 6.78801 15.4649 8.57203 6.92648 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 9.78215 9.01144 6.78801 17.0179 12.6005 9.29384 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.49352 13.8289 8.48313 17.6189 14.2036 7.36779 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 7.49352 13.8289 8.48313 21.3593 16.4114 8.20836 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 8.09699 5.07688 8.999 9.43214 4.00127 9.11712 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 9.2536 9.71171 9.13027 14.0594 11.8244 7.71426 numMergedOcc 0
17 mol 171 unq 2 iso 0 dist 9.2536 9.71171 9.13027 13.4554 13.9189 5.10618 numMergedOcc 0
18 mol 171 unq 3 iso 0 dist 9.2536 9.71171 9.13027 15.2393 8.25926 9.86681 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 9.03126 11.9042 8.25282 12.3456 6.42973 4.92088 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.56602 13.1069 7.04815 18.6562 13.6744 9.83476 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 6.80944 5.26443 8.17226 10.6149 8.0472 7.28841 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 5.66071 11.6678 7.87972 17.0914 11.9954 6.60567 numMergedOcc 0
23 mol 195 unq 1 iso 0 dist 5.66071 11.6678 7.87972 11.2572 8.04534 7.62942 numMergedOcc 0
24 mol 207 unq 0 iso 0 dist 9.93721 12.3816 8.78061 20.4515 14.0642 8.32218 numMergedOcc 0
25 mol 207 unq 1 iso 0 dist 9.93721 12.3816 8.78061 13.5803 4.56899 7.96797 numMergedOcc 0
26 mol 207 unq 2 iso 0 dist 6.29106 9.63255 8.78061 16.8531 14.0642 8.32218 numMergedOcc 0
27 mol 207 unq 3 iso 0 dist 6.29106 9.63255 8.78061 8.29666 4.56899 7.96797 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 8.43638 3.85144 5.50658 11.9502 6.47488 8.57827 numMergedOcc 0
29 mol 212 unq 1 iso 0 dist 8.43638 3.85144 5.50658 10.0663 3.9436 6.29767 numMergedOcc 0
30 mol 212 unq 2 iso 0 dist 8.43638 17.3092 9.22129 10.0663 3.9436 8.74585 numMergedOcc 0
31 mol 212 unq 3 iso 0 dist 7.06117 10.9589 5.50658 12.3918 6.47488 8.57827 numMergedOcc 0
32 mol 212 unq 4 iso 0 dist 7.06117 10.9589 5.50658 10.8077 3.9436 6.29767 numMergedOcc 0
33 mol 212 unq 5 iso 0 dist 7.06117 11.5079 9.22129 10.8077 3.9436 8.74585 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 5.88041 12.0413 8.54702 10.6043 5.13732 8.37597 numMergedOcc 0
35 mol 251 unq 0 iso 0 dist 7.95984 8.51564 6.42747 7.54763 4.86046 8.01198 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 7.05095 10.1582 7.14086 15.2039 11.4167 6.04162 numMergedOcc 0
37 mol 264 unq 1 iso 0 dist 7.05095 10.1582 7.14086 15.562 13.2035 6.14323 numMergedOcc 0
38 mol 276 unq 0 iso 0 dist 9.53331 13.2159 7.49391 10.0077 4.51728 6.70215 numMergedOcc 0
39 mol 276 unq 1 iso 0 dist 9.53331 13.2159 7.49391 14.432 5.45206 7.25423 numMergedOcc 0
40 mol 276 unq 2 iso 0 dist 9.53331 13.2159 7.49391 18.3519 9.33434 7.88706 numMergedOcc 0
41 mol 276 unq 3 iso 0 dist 9.53331 13.2159 7.49391 16.4192 12.2368 7.23916 numMergedOcc 0
