0 mol 24 unq 0 iso 0 dist 5.80953 4.30252 8.72577 9.63925 7.7447 10.2171 7.85986 11.1587 6.0925 8.25818 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 5.43693 5.53419 6.08836 3.57198 5.4713 3.77542 13.1965 14.1986 9.4824 9.97314 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.02443 9.99805 5.60343 6.07693 8.18375 10.5782 8.84225 6.49084 9.19853 4.15789 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 9.09458 8.33791 11.4347 5.25584 8.18375 12.5398 6.72546 6.49084 11.179 4.15789 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 9.09458 7.38548 10.0358 5.25584 8.18375 9.56766 6.72546 6.49084 7.13643 4.15789 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 9.09458 8.2992 5.60343 5.25584 8.18375 10.5782 6.72546 6.49084 9.19853 4.15789 numMergedOcc 0
6 mol 79 unq 4 iso 0 dist 6.5551 7.56495 10.2908 5.41884 4.74254 9.56766 7.63923 7.19532 5.30569 6.20144 numMergedOcc 0
7 mol 79 unq 5 iso 0 dist 6.5551 8.23095 8.58888 5.41884 4.74254 11.082 7.63923 7.19532 8.91283 6.20144 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 11.3824 12.2971 15.509 9.78707 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 15.4163 11.7094 11.3346 7.91193 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 15.5788 11.8779 10.1757 9.09711 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 14.0171 10.0372 10.1082 7.07839 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 11.3824 12.2971 15.509 9.63449 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 5.05893 6.46549 5.41777 5.22259 4.29937 8.49871 8.04853 3.65186 8.06192 6.67137 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 5.05893 6.46549 5.41777 5.22259 4.29937 8.49871 11.3824 12.2971 12.4722 9.78707 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 5.05893 6.46549 5.41777 7.66499 5.37869 9.59497 8.04853 3.65186 8.06192 7.04244 numMergedOcc 0
16 mol 85 unq 8 iso 0 dist 5.05893 6.46549 5.41777 7.66499 5.37869 9.59497 15.5788 11.8779 16.7644 9.09711 numMergedOcc 0
17 mol 85 unq 9 iso 0 dist 5.05893 6.46549 5.41777 7.66499 5.37869 9.59497 14.0171 10.0372 13.0457 7.07839 numMergedOcc 0
18 mol 85 unq 10 iso 0 dist 5.05893 6.46549 5.41777 7.66499 5.37869 9.59497 15.4163 11.7094 15.531 7.91193 numMergedOcc 0
19 mol 85 unq 11 iso 0 dist 5.05893 6.46549 5.41777 7.66499 5.37869 9.59497 11.3824 12.2971 12.4722 9.63449 numMergedOcc 0
20 mol 85 unq 12 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 11.3824 8.64367 15.509 9.78707 numMergedOcc 0
21 mol 85 unq 13 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 15.4163 10.7591 11.3346 7.91193 numMergedOcc 0
22 mol 85 unq 14 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 15.5788 12.4835 10.1757 9.09711 numMergedOcc 0
23 mol 85 unq 15 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 14.0171 8.78995 10.1082 7.07839 numMergedOcc 0
24 mol 85 unq 16 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 11.3824 8.64367 15.509 9.63449 numMergedOcc 0
25 mol 85 unq 17 iso 0 dist 5.71866 6.46549 5.85247 5.22259 3.65628 8.49871 8.04853 7.00044 8.06192 6.67137 numMergedOcc 0
26 mol 85 unq 18 iso 0 dist 5.71866 6.46549 5.85247 5.22259 3.65628 8.49871 11.3824 8.64367 12.4722 9.78707 numMergedOcc 0
27 mol 85 unq 19 iso 0 dist 5.71866 6.46549 5.85247 7.66499 4.05415 9.59497 8.04853 7.00044 8.06192 7.04244 numMergedOcc 0
28 mol 85 unq 20 iso 0 dist 5.71866 6.46549 5.85247 7.66499 4.05415 9.59497 15.5788 12.4835 16.7644 9.09711 numMergedOcc 0
29 mol 85 unq 21 iso 0 dist 5.71866 6.46549 5.85247 7.66499 4.05415 9.59497 14.0171 8.78995 13.0457 7.07839 numMergedOcc 0
30 mol 85 unq 22 iso 0 dist 5.71866 6.46549 5.85247 7.66499 4.05415 9.59497 15.4163 10.7591 15.531 7.91193 numMergedOcc 0
31 mol 85 unq 23 iso 0 dist 5.71866 6.46549 5.85247 7.66499 4.05415 9.59497 11.3824 8.64367 12.4722 9.63449 numMergedOcc 0
32 mol 93 unq 0 iso 0 dist 9.19977 5.56839 13.1331 14.8662 9.40687 20.1586 20.3319 13.6138 24.5276 9.66837 numMergedOcc 0
33 mol 93 unq 1 iso 0 dist 7.28831 7.83506 13.1331 14.149 9.40687 20.1586 20.257 13.6138 24.5276 9.66837 numMergedOcc 0
34 mol 107 unq 0 iso 0 dist 5.33764 7.89505 3.40943 8.49625 6.49371 8.19484 10.5526 10.4294 13.5807 8.88124 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 10.4064 10.1118 5.7147 4.49669 numMergedOcc 0
36 mol 113 unq 1 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 11.5441 8.19901 8.09465 6.00221 numMergedOcc 0
37 mol 169 unq 0 iso 0 dist 6.0859 7.85698 12.6492 5.68902 9.06172 10.1862 9.57683 13.5169 7.75905 6.96715 numMergedOcc 0
38 mol 169 unq 1 iso 0 dist 6.0859 8.75484 4.97137 5.68902 9.06172 10.0159 9.57683 13.5169 16.132 6.96715 numMergedOcc 0
39 mol 169 unq 2 iso 0 dist 9.15283 6.35799 12.6492 3.83687 9.06172 10.1862 5.41121 13.5169 7.75905 6.96715 numMergedOcc 0
40 mol 169 unq 3 iso 0 dist 6.05009 7.85698 13.7198 5.68902 8.93091 10.1862 9.57683 14.673 7.75905 6.96715 numMergedOcc 0
41 mol 169 unq 4 iso 0 dist 6.05009 8.75484 3.33711 5.68902 8.93091 10.0159 9.57683 14.673 16.132 6.96715 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 9.45907 8.72743 3.60793 14.2269 8.17928 7.25595 13.2736 4.79079 6.13455 4.87942 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 4.19371 8.43182 9.23342 7.29209 5.89939 4.68722 11.0347 10.3782 5.61057 5.18325 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 9.71015 8.43182 11.7699 7.29209 8.18853 4.68722 11.0347 13.0759 5.61057 5.18325 numMergedOcc 0
45 mol 214 unq 0 iso 0 dist 5.31416 5.05626 3.14057 6.28944 9.59928 8.66082 8.41013 8.88633 10.5332 7.96338 numMergedOcc 0
46 mol 214 unq 1 iso 0 dist 5.31416 8.41013 8.88633 6.28944 9.59928 7.96338 5.05626 3.14057 10.5332 8.66082 numMergedOcc 0
47 mol 214 unq 2 iso 0 dist 5.44533 5.05626 7.87816 6.28944 7.70062 8.66082 8.41013 3.64285 10.5332 7.96338 numMergedOcc 0
48 mol 214 unq 3 iso 0 dist 5.44533 5.05626 7.87816 7.23583 7.66702 10.7359 8.41013 3.64285 10.5332 7.42759 numMergedOcc 0
49 mol 214 unq 4 iso 0 dist 5.44533 8.41013 3.64285 6.28944 7.70062 7.96338 5.05626 7.87816 10.5332 8.66082 numMergedOcc 0
50 mol 260 unq 0 iso 0 dist 6.75725 6.49413 8.04546 3.60349 8.51564 9.66527 6.12343 8.22506 5.97214 7.04263 numMergedOcc 0
51 mol 260 unq 1 iso 0 dist 6.75725 6.49413 8.04546 3.60349 8.51564 9.66527 4.52405 3.68866 8.11213 6.48099 numMergedOcc 0
52 mol 260 unq 2 iso 0 dist 6.75725 6.12343 8.22506 3.60349 8.51564 7.04263 4.52405 3.68866 8.76827 6.48099 numMergedOcc 0
53 mol 260 unq 3 iso 0 dist 6.75725 4.52405 3.68866 3.60349 8.51564 6.48099 6.12343 8.22506 8.76827 7.04263 numMergedOcc 0
54 mol 260 unq 4 iso 0 dist 9.31888 6.12343 9.94995 7.28821 7.49606 11.9844 6.49413 7.35802 5.97214 8.62655 numMergedOcc 0
55 mol 260 unq 5 iso 0 dist 9.31888 4.52405 12.8784 7.28821 7.49606 9.01781 6.49413 7.35802 8.11213 8.62655 numMergedOcc 0
