0 mol 11 unq 0 iso 0 dist 7.98326 9.81983 6.76736 6.51674 10.0282 6.83186 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.90478 9.81983 13.5186 6.51674 13.2204 6.83186 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.72323 7.85986 12.2839 9.63925 14.8722 8.25818 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.29857 6.28603 6.17529 3.50984 5.7836 5.54472 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.29857 8.80303 9.78584 3.50984 5.7836 8.62369 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 8.29857 7.11491 11.505 11.6319 14.3851 8.22812 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 8.29857 7.11491 11.505 5.39812 11.3217 4.22002 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 8.29857 7.11491 11.505 8.55482 13.8474 5.77855 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 8.29857 7.11491 11.505 3.59761 11.3188 8.10774 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 8.29857 7.11491 11.505 3.50984 5.7836 6.5241 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 8.29857 5.7836 3.50984 6.17529 6.28603 5.54472 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 8.29857 5.7836 3.50984 9.78584 8.80303 8.62369 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 8.29857 5.7836 3.50984 11.505 7.11491 6.5241 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 8.29857 7.32996 11.7253 13.357 18.1071 8.0812 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 8.19993 5.73454 6.30002 3.65036 5.82264 5.37439 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 8.19993 8.2012 9.72383 3.65036 5.82264 8.3714 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 8.19993 7.1829 11.5388 3.60121 11.2213 8.14245 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 8.19993 7.1829 11.5388 3.65036 5.82264 6.36817 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 8.19993 7.1829 11.5388 11.611 14.3528 8.0812 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 8.19993 7.1829 11.5388 5.37655 11.342 4.17933 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 8.19993 7.1829 11.5388 8.48119 13.6649 5.54893 numMergedOcc 0
21 mol 48 unq 18 iso 0 dist 8.19993 5.82264 3.65036 6.30002 5.73454 5.37439 numMergedOcc 0
22 mol 48 unq 19 iso 0 dist 8.19993 5.82264 3.65036 9.72383 8.2012 8.3714 numMergedOcc 0
23 mol 48 unq 20 iso 0 dist 8.19993 5.82264 3.65036 11.5388 7.1829 6.36817 numMergedOcc 0
24 mol 48 unq 21 iso 0 dist 8.19993 7.20729 11.7978 10.8889 16.5041 8.65524 numMergedOcc 0
25 mol 48 unq 22 iso 0 dist 8.19993 7.20729 11.7978 13.697 18.3648 8.22812 numMergedOcc 0
26 mol 53 unq 0 iso 0 dist 8.94227 8.19958 10.4706 5.80365 13.8663 8.88512 numMergedOcc 0
27 mol 79 unq 0 iso 0 dist 9.78384 7.56495 13.2204 6.29733 13.6707 4.15789 numMergedOcc 0
28 mol 79 unq 1 iso 0 dist 9.78384 7.63923 10.8598 5.41884 9.21098 6.20144 numMergedOcc 0
29 mol 79 unq 2 iso 0 dist 9.78384 7.63923 10.8598 6.29733 13.6707 4.808 numMergedOcc 0
30 mol 79 unq 3 iso 0 dist 8.03296 6.2576 6.07693 4.37918 8.84225 4.15789 numMergedOcc 0
31 mol 79 unq 4 iso 0 dist 8.03296 8.84225 4.37918 6.07693 6.2576 4.15789 numMergedOcc 0
32 mol 79 unq 5 iso 0 dist 8.03296 8.84225 4.37918 10.8556 9.11841 4.808 numMergedOcc 0
33 mol 79 unq 6 iso 0 dist 5.82754 8.96069 6.07693 9.08423 8.84225 4.15789 numMergedOcc 0
34 mol 79 unq 7 iso 0 dist 5.82754 8.84225 9.08423 6.07693 8.96069 4.15789 numMergedOcc 0
35 mol 79 unq 8 iso 0 dist 5.82754 8.84225 9.08423 10.8556 12.5055 4.808 numMergedOcc 0
36 mol 79 unq 9 iso 0 dist 8.87742 7.56495 6.07693 6.29733 8.84225 4.15789 numMergedOcc 0
37 mol 79 unq 10 iso 0 dist 8.87742 7.63923 10.8556 5.41884 13.2872 6.20144 numMergedOcc 0
38 mol 79 unq 11 iso 0 dist 8.87742 7.63923 10.8556 6.29733 8.84225 4.808 numMergedOcc 0
39 mol 79 unq 12 iso 0 dist 8.87742 8.84225 6.29733 6.07693 7.56495 4.15789 numMergedOcc 0
40 mol 79 unq 13 iso 0 dist 8.87742 8.84225 6.29733 10.8556 7.63923 4.808 numMergedOcc 0
41 mol 79 unq 14 iso 0 dist 9.26979 6.2576 5.25584 4.37918 6.72546 4.15789 numMergedOcc 0
42 mol 79 unq 15 iso 0 dist 9.26979 7.38548 10.3746 5.79629 9.11841 6.20144 numMergedOcc 0
43 mol 79 unq 16 iso 0 dist 9.26979 6.72546 4.37918 5.25584 6.2576 4.15789 numMergedOcc 0
44 mol 79 unq 17 iso 0 dist 9.26979 6.72546 4.37918 5.79629 9.11841 4.808 numMergedOcc 0
45 mol 79 unq 18 iso 0 dist 9.05679 8.96069 5.25584 9.08423 6.72546 4.15789 numMergedOcc 0
46 mol 79 unq 19 iso 0 dist 9.05679 7.38548 12.3366 5.79629 12.5055 6.20144 numMergedOcc 0
47 mol 79 unq 20 iso 0 dist 9.05679 6.72546 9.08423 5.25584 8.96069 4.15789 numMergedOcc 0
48 mol 79 unq 21 iso 0 dist 9.05679 6.72546 9.08423 5.79629 12.5055 4.808 numMergedOcc 0
49 mol 79 unq 22 iso 0 dist 4.93468 7.56495 5.25584 6.29733 6.72546 4.15789 numMergedOcc 0
50 mol 79 unq 23 iso 0 dist 4.93468 7.63923 5.79629 5.41884 7.38548 6.20144 numMergedOcc 0
51 mol 79 unq 24 iso 0 dist 4.93468 7.63923 5.79629 6.29733 6.72546 4.808 numMergedOcc 0
52 mol 79 unq 25 iso 0 dist 4.93468 7.38548 5.41884 5.79629 7.63923 6.20144 numMergedOcc 0
53 mol 79 unq 26 iso 0 dist 4.93468 6.72546 6.29733 5.25584 7.56495 4.15789 numMergedOcc 0
54 mol 79 unq 27 iso 0 dist 4.93468 6.72546 6.29733 5.79629 7.63923 4.808 numMergedOcc 0
55 mol 85 unq 0 iso 0 dist 9.66222 8.04853 11.3242 5.22259 9.07499 6.67137 numMergedOcc 0
56 mol 85 unq 1 iso 0 dist 9.66222 8.04853 11.3242 7.66499 10.671 7.04244 numMergedOcc 0
57 mol 92 unq 0 iso 0 dist 6.77241 6.89071 8.93569 9.18008 14.0552 8.10623 numMergedOcc 0
58 mol 92 unq 1 iso 0 dist 5.50508 6.89071 3.98877 9.18008 8.4219 8.10623 numMergedOcc 0
59 mol 92 unq 2 iso 0 dist 5.50508 8.4219 9.18008 3.98877 6.89071 8.10623 numMergedOcc 0
60 mol 93 unq 0 iso 0 dist 8.74378 5.56839 5.90646 5.01255 10.6633 5.20429 numMergedOcc 0
61 mol 93 unq 1 iso 0 dist 8.74378 5.56839 5.90646 9.11323 12.3732 8.71366 numMergedOcc 0
62 mol 93 unq 2 iso 0 dist 8.89417 7.83506 5.90646 8.98901 10.6633 5.20429 numMergedOcc 0
63 mol 93 unq 3 iso 0 dist 8.89417 7.83506 5.90646 8.52329 12.3732 8.71366 numMergedOcc 0
64 mol 93 unq 4 iso 0 dist 9.95255 7.83506 12.949 8.98901 15.5723 5.20429 numMergedOcc 0
65 mol 93 unq 5 iso 0 dist 9.95255 7.83506 12.949 8.52329 17.663 8.71366 numMergedOcc 0
66 mol 113 unq 0 iso 0 dist 6.6317 7.40338 13.2601 6.29259 10.6717 5.31126 numMergedOcc 0
67 mol 113 unq 1 iso 0 dist 6.6317 7.40338 13.2601 7.08122 11.3323 7.16619 numMergedOcc 0
68 mol 113 unq 2 iso 0 dist 6.6317 9.62952 5.40648 14.7833 9.34113 7.02358 numMergedOcc 0
69 mol 131 unq 0 iso 0 dist 5.87084 7.84546 4.60864 4.94367 8.47526 7.53342 numMergedOcc 0
70 mol 131 unq 1 iso 0 dist 5.87084 8.47526 4.94367 4.60864 7.84546 7.53342 numMergedOcc 0
71 mol 141 unq 0 iso 0 dist 9.83945 9.59109 3.80087 13.8739 4.92382 4.88514 numMergedOcc 0
72 mol 141 unq 1 iso 0 dist 9.83945 4.92382 13.8739 3.80087 9.59109 4.88514 numMergedOcc 0
73 mol 141 unq 2 iso 0 dist 6.75376 9.59109 3.80763 13.8739 8.38715 4.88514 numMergedOcc 0
74 mol 141 unq 3 iso 0 dist 9.10042 9.59109 9.98068 13.8739 13.9606 4.88514 numMergedOcc 0
75 mol 194 unq 0 iso 0 dist 6.1886 8.43182 13.0087 3.7326 8.13022 5.10542 numMergedOcc 0
76 mol 194 unq 1 iso 0 dist 6.1886 8.43182 13.0087 7.29209 9.82667 4.68722 numMergedOcc 0
77 mol 260 unq 0 iso 0 dist 9.32954 6.49413 4.07425 7.28821 9.24869 8.62655 numMergedOcc 0
78 mol 260 unq 1 iso 0 dist 9.32954 6.12343 9.82931 3.60349 12.8322 7.04263 numMergedOcc 0
79 mol 260 unq 2 iso 0 dist 9.32954 4.52405 9.36278 3.60349 12.8322 6.48099 numMergedOcc 0
80 mol 284 unq 0 iso 0 dist 7.34931 7.74874 9.94624 3.57807 9.75958 5.6964 numMergedOcc 0
