0 mol 24 unq 0 iso 0 dist 5.80953 7.85986 11.1587 9.63925 7.7447 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.80953 4.30252 8.72577 9.63925 7.7447 10.2171 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.43693 5.53419 6.08836 3.57198 5.4713 3.77542 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 9.77084 7.56495 11.5615 5.84075 9.04293 12.5398 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 9.77084 7.63923 10.6375 5.84075 9.04293 10.5441 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 9.77084 8.23095 5.57609 5.84075 9.04293 10.8758 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 8.02443 9.99805 5.60343 6.07693 8.18375 10.5782 numMergedOcc 0
7 mol 79 unq 4 iso 0 dist 8.02443 8.84225 6.49084 6.07693 8.18375 4.15789 numMergedOcc 0
8 mol 79 unq 5 iso 0 dist 9.09458 8.33791 11.4347 5.25584 8.18375 12.5398 numMergedOcc 0
9 mol 79 unq 6 iso 0 dist 9.09458 7.38548 10.0358 5.25584 8.18375 9.56766 numMergedOcc 0
10 mol 79 unq 7 iso 0 dist 9.09458 8.2992 5.60343 5.25584 8.18375 10.5782 numMergedOcc 0
11 mol 79 unq 8 iso 0 dist 9.09458 6.72546 6.49084 5.25584 8.18375 4.15789 numMergedOcc 0
12 mol 79 unq 9 iso 0 dist 6.5551 7.56495 10.2908 5.84075 4.78333 12.5398 numMergedOcc 0
13 mol 79 unq 10 iso 0 dist 6.5551 7.56495 10.2908 5.41884 4.74254 9.56766 numMergedOcc 0
14 mol 79 unq 11 iso 0 dist 6.5551 7.63923 7.19532 5.84075 4.78333 10.5441 numMergedOcc 0
15 mol 79 unq 12 iso 0 dist 6.5551 7.63923 7.19532 5.41884 4.74254 6.20144 numMergedOcc 0
16 mol 79 unq 13 iso 0 dist 6.5551 8.23095 8.58888 5.84075 4.78333 10.8758 numMergedOcc 0
17 mol 79 unq 14 iso 0 dist 6.5551 8.23095 8.58888 5.41884 4.74254 11.082 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 5.05893 6.46549 5.41777 5.22259 4.29937 8.49871 numMergedOcc 0
21 mol 85 unq 3 iso 0 dist 5.05893 6.46549 5.41777 7.66499 5.37869 9.59497 numMergedOcc 0
22 mol 85 unq 4 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 numMergedOcc 0
23 mol 85 unq 5 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 numMergedOcc 0
24 mol 85 unq 6 iso 0 dist 5.71866 6.46549 5.85247 5.22259 3.65628 8.49871 numMergedOcc 0
25 mol 85 unq 7 iso 0 dist 5.71866 6.46549 5.85247 7.66499 4.05415 9.59497 numMergedOcc 0
26 mol 91 unq 0 iso 0 dist 8.77355 9.97813 9.60912 12.8723 7.71625 14.8326 numMergedOcc 0
27 mol 93 unq 0 iso 0 dist 9.19977 5.56839 13.1331 5.64998 6.67678 10.8976 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 9.19977 5.56839 13.1331 4.76749 7.24956 10.3155 numMergedOcc 0
29 mol 93 unq 2 iso 0 dist 9.19977 5.56839 13.1331 15.6931 8.28591 20.602 numMergedOcc 0
30 mol 93 unq 3 iso 0 dist 9.19977 5.56839 13.1331 14.8662 9.40687 20.1586 numMergedOcc 0
31 mol 93 unq 4 iso 0 dist 7.28831 7.83506 13.1331 4.34681 6.67678 10.8976 numMergedOcc 0
32 mol 93 unq 5 iso 0 dist 7.28831 7.83506 13.1331 5.73248 7.24956 10.3155 numMergedOcc 0
33 mol 93 unq 6 iso 0 dist 7.28831 7.83506 13.1331 13.5809 8.28591 20.602 numMergedOcc 0
34 mol 93 unq 7 iso 0 dist 7.28831 7.83506 13.1331 14.149 9.40687 20.1586 numMergedOcc 0
35 mol 107 unq 0 iso 0 dist 5.33764 7.89505 3.40943 8.49625 6.49371 8.19484 numMergedOcc 0
36 mol 113 unq 0 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 7.75314 7.84546 6.95147 4.94367 8.49847 7.53342 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 7.83568 8.31198 4.80505 14.5488 6.76852 8.5609 numMergedOcc 0
39 mol 169 unq 0 iso 0 dist 6.0859 7.85698 12.6492 5.68902 9.06172 10.1862 numMergedOcc 0
40 mol 169 unq 1 iso 0 dist 6.0859 8.75484 4.97137 5.68902 9.06172 10.0159 numMergedOcc 0
41 mol 169 unq 2 iso 0 dist 9.15283 5.41121 13.5169 3.83687 9.06172 6.96715 numMergedOcc 0
42 mol 169 unq 3 iso 0 dist 9.15283 6.35799 12.6492 3.83687 9.06172 10.1862 numMergedOcc 0
43 mol 169 unq 4 iso 0 dist 6.05009 7.85698 13.7198 5.68902 8.93091 10.1862 numMergedOcc 0
44 mol 169 unq 5 iso 0 dist 6.05009 8.75484 3.33711 5.68902 8.93091 10.0159 numMergedOcc 0
45 mol 184 unq 0 iso 0 dist 7.81263 7.02762 3.74437 5.69882 7.25623 8.53111 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.45907 8.72743 3.60793 14.2269 8.17928 7.25595 numMergedOcc 0
47 mol 186 unq 1 iso 0 dist 6.88127 7.37629 4.75583 13.2309 9.34653 14.0911 numMergedOcc 0
48 mol 186 unq 2 iso 0 dist 6.88127 5.68985 3.11607 13.2309 9.34653 11.9419 numMergedOcc 0
49 mol 193 unq 0 iso 0 dist 8.15661 9.9042 9.3899 5.96435 6.94187 12.6747 numMergedOcc 0
50 mol 194 unq 0 iso 0 dist 4.19371 8.43182 9.23342 3.7326 4.45769 5.10542 numMergedOcc 0
51 mol 194 unq 1 iso 0 dist 4.19371 8.43182 9.23342 7.29209 5.89939 4.68722 numMergedOcc 0
52 mol 194 unq 2 iso 0 dist 9.71015 8.43182 11.7699 3.7326 8.99961 5.10542 numMergedOcc 0
53 mol 194 unq 3 iso 0 dist 9.71015 8.43182 11.7699 7.29209 8.18853 4.68722 numMergedOcc 0
54 mol 214 unq 0 iso 0 dist 5.31416 5.05626 3.14057 6.28944 9.59928 8.66082 numMergedOcc 0
55 mol 214 unq 1 iso 0 dist 5.31416 8.41013 8.88633 6.28944 9.59928 7.96338 numMergedOcc 0
56 mol 214 unq 2 iso 0 dist 5.44533 5.05626 7.87816 6.28944 7.70062 8.66082 numMergedOcc 0
57 mol 214 unq 3 iso 0 dist 5.44533 5.05626 7.87816 7.23583 7.66702 10.7359 numMergedOcc 0
58 mol 214 unq 4 iso 0 dist 5.44533 8.41013 3.64285 6.28944 7.70062 7.96338 numMergedOcc 0
59 mol 214 unq 5 iso 0 dist 5.44533 8.41013 3.64285 7.23583 7.66702 7.42759 numMergedOcc 0
60 mol 235 unq 0 iso 0 dist 7.39085 7.26232 14.4239 8.80447 9.24564 11.8163 numMergedOcc 0
61 mol 260 unq 0 iso 0 dist 6.75725 6.49413 8.04546 3.60349 8.51564 9.66527 numMergedOcc 0
62 mol 260 unq 1 iso 0 dist 6.75725 6.12343 8.22506 3.60349 8.51564 7.04263 numMergedOcc 0
63 mol 260 unq 2 iso 0 dist 6.75725 4.52405 3.68866 3.60349 8.51564 6.48099 numMergedOcc 0
64 mol 260 unq 3 iso 0 dist 9.31888 6.49413 7.35802 7.28821 7.49606 8.62655 numMergedOcc 0
65 mol 260 unq 4 iso 0 dist 9.31888 6.12343 9.94995 7.28821 7.49606 11.9844 numMergedOcc 0
66 mol 260 unq 5 iso 0 dist 9.31888 4.52405 12.8784 7.28821 7.49606 9.01781 numMergedOcc 0
67 mol 266 unq 0 iso 0 dist 9.63518 9.32971 9.39944 13.8751 9.83672 16.3408 numMergedOcc 0
68 mol 292 unq 0 iso 0 dist 8.6233 9.373 11.0273 4.30125 9.21469 12.6751 numMergedOcc 0
