0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 8.77133 6.06176 6.36911 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 7.64353 4.51865 11.8683 6.74265 8.58657 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 14.3799 11.887 9.16962 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.37225 8.70636 8.34347 14.0874 11.887 9.16962 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 11.7128 5.33688 6.71911 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 9.74802 5.43139 9.65964 6.22308 6.65811 7.92394 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 9.74802 5.43139 9.65964 7.0495 5.47516 9.93423 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 9.74802 5.43139 9.65964 10.2795 11.0952 9.34122 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 13.3803 6.11922 7.321 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.41049 4.60412 5.93252 6.96647 9.77992 5.64598 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 12.6465 7.41074 8.70133 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 7.23812 9.59988 6.19304 12.6465 7.41074 4.65521 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 19.1239 11.6116 9.47876 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 19.1239 11.6116 7.22293 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 16.7847 10.1589 8.72704 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.6726 6.09023 9.66954 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 7.9258 10.9791 9.33865 13.8918 10.2377 7.64585 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 12.6726 6.09023 8.66155 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.1146 11.0256 7.11802 7.46812 4.68409 7.92688 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 9.23645 6.45463 9.87651 11.5728 6.58937 8.62646 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 16.2084 9.53462 7.98142 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 16.714 11.1462 7.37327 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 11.6537 6.23291 9.19704 numMergedOcc 0
23 mol 209 unq 0 iso 0 dist 9.62543 8.42394 7.56373 13.3913 7.19056 7.95911 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.92165 12.7439 8.85478 15.621 6.67959 7.46831 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 6.77368 10.4837 7.54212 13.2111 7.61682 7.18956 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 7.73634 9.69122 7.54212 11.3246 7.61682 7.18956 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 9.89345 7.98696 6.87664 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.80858 4.93626 6.60589 10.7011 6.12232 6.65984 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 6.61371 5.03564 6.84306 11.0934 11.3552 7.17676 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 6.61371 5.03564 6.84306 11.5406 11.6837 6.68463 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 6.61371 9.63949 7.68742 11.0934 11.3552 5.34718 numMergedOcc 0
32 mol 236 unq 3 iso 0 dist 5.90804 13.6195 9.99038 10.3387 6.04825 7.17676 numMergedOcc 0
33 mol 236 unq 4 iso 0 dist 5.90804 13.6195 9.99038 14.2759 8.8265 6.68463 numMergedOcc 0
34 mol 236 unq 5 iso 0 dist 5.90804 7.45579 6.27581 10.3387 6.04825 5.34718 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 4.80834 7.04671 5.72887 10.5557 13.069 9.29858 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 6.43546 5.54495 7.00034 8.64747 6.26168 7.39747 numMergedOcc 0
37 mol 239 unq 1 iso 0 dist 6.43546 5.54495 7.00034 5.91933 5.39146 8.1777 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 7.00833 6.75336 8.45658 10.1364 5.22253 7.47164 numMergedOcc 0
39 mol 276 unq 0 iso 0 dist 8.15803 11.2406 9.8993 11.2905 7.54851 8.76347 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 10.5569 6.3384 6.85028 numMergedOcc 0
41 mol 282 unq 1 iso 0 dist 7.71088 7.46064 6.33524 10.5569 6.3384 7.32347 numMergedOcc 0
