0 mol 18 unq 0 iso 0 dist 8.51213 6.41856 10.1903 11.0081 9.51761 11.4791 11.3758 7.3094 15.4322 9.70492 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.51213 6.41856 10.1903 11.3758 7.3094 15.4322 11.0081 9.51761 11.4791 9.70492 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.47617 8.99509 5.06502 15.1595 8.80331 10.5523 8.14351 6.20293 5.73819 8.13395 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.47617 8.99509 5.06502 8.14351 6.20293 5.73819 15.1595 8.80331 10.5523 8.13395 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.47617 5.73331 6.45462 15.1595 8.80331 14.7803 8.14351 6.20293 8.93915 8.13395 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 8.47617 5.73331 6.45462 8.14351 6.20293 8.93915 15.1595 8.80331 14.7803 8.13395 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 8.47617 8.48694 10.5986 15.1595 8.80331 19.375 8.14351 6.20293 14.0988 8.13395 numMergedOcc 0
7 mol 43 unq 2 iso 1 dist 8.47617 8.48694 10.5986 8.14351 6.20293 14.0988 15.1595 8.80331 19.375 8.13395 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 8.64872 8.96262 9.02771 10.4239 7.79912 11.673 12.0967 8.56639 15.657 5.64643 numMergedOcc 0
9 mol 75 unq 0 iso 1 dist 8.64872 8.96262 9.02771 12.0967 8.56639 15.657 10.4239 7.79912 11.673 5.64643 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 8.64872 8.96262 9.02771 10.4239 7.79912 11.673 9.60759 8.59017 15.872 10.4899 numMergedOcc 0
11 mol 75 unq 1 iso 1 dist 8.64872 8.96262 9.02771 9.60759 8.59017 15.872 10.4239 7.79912 11.673 10.4899 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 8.64872 8.96262 9.02771 12.0967 8.56639 15.657 9.60759 8.59017 15.872 7.00674 numMergedOcc 0
13 mol 75 unq 1 iso 1 dist 8.64872 8.96262 9.02771 9.60759 8.59017 15.872 12.0967 8.56639 15.657 7.00674 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.13273 8.29852 6.59884 6.56354 9.03572 11.5113 6.68919 8.83255 12.9844 6.59319 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 8.13273 8.29852 6.59884 6.68919 8.83255 12.9844 6.56354 9.03572 11.5113 6.59319 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 8.13273 8.29852 6.59884 6.56354 9.03572 11.5113 14.1434 8.03644 11.3446 16.6055 numMergedOcc 0
17 mol 95 unq 1 iso 1 dist 8.13273 8.29852 6.59884 14.1434 8.03644 11.3446 6.56354 9.03572 11.5113 16.6055 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 8.13273 8.29852 6.59884 6.68919 8.83255 12.9844 14.1434 8.03644 11.3446 13.8105 numMergedOcc 0
19 mol 95 unq 1 iso 1 dist 8.13273 8.29852 6.59884 14.1434 8.03644 11.3446 6.68919 8.83255 12.9844 13.8105 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 6.29975 6.53153 6.69554 4.90674 6.5107 9.66421 5.78974 9.52634 9.91388 9.56949 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 6.29975 6.53153 6.69554 5.78974 9.52634 9.91388 4.90674 6.5107 9.66421 9.56949 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 6.29975 8.29673 7.6656 4.90674 6.5107 12.0352 5.78974 9.52634 7.24514 9.56949 numMergedOcc 0
23 mol 133 unq 1 iso 1 dist 6.29975 8.29673 7.6656 5.78974 9.52634 7.24514 4.90674 6.5107 12.0352 9.56949 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 8.29673 6.53153 6.761 5.78974 7.24514 9.91388 9.35671 8.22656 10.0372 6.65743 numMergedOcc 0
25 mol 133 unq 2 iso 1 dist 8.29673 6.53153 6.761 9.35671 8.22656 10.0372 5.78974 7.24514 9.91388 6.65743 numMergedOcc 0
26 mol 133 unq 3 iso 0 dist 8.29673 6.29975 7.6656 5.78974 7.24514 9.52634 9.35671 8.22656 13.4163 6.65743 numMergedOcc 0
27 mol 133 unq 3 iso 1 dist 8.29673 6.29975 7.6656 9.35671 8.22656 13.4163 5.78974 7.24514 9.52634 6.65743 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 9.37459 9.0847 5.42328 8.41711 5.87555 6.70283 4.82496 8.87437 7.16148 5.49936 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 9.37459 9.0847 5.42328 4.82496 8.87437 7.16148 8.41711 5.87555 6.70283 5.49936 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 9.37459 6.00061 5.54906 8.41711 5.87555 8.67331 4.82496 8.87437 8.05741 5.49936 numMergedOcc 0
31 mol 152 unq 1 iso 1 dist 9.37459 6.00061 5.54906 4.82496 8.87437 8.05741 8.41711 5.87555 8.67331 5.49936 numMergedOcc 0
32 mol 152 unq 2 iso 0 dist 9.37459 8.33302 10.9968 8.41711 5.87555 13.8767 4.82496 8.87437 11.4919 5.49936 numMergedOcc 0
33 mol 152 unq 2 iso 1 dist 9.37459 8.33302 10.9968 4.82496 8.87437 11.4919 8.41711 5.87555 13.8767 5.49936 numMergedOcc 0
34 mol 152 unq 3 iso 0 dist 9.0847 9.37459 5.42328 14.8573 8.56324 10.399 8.41711 6.70283 5.87555 7.65448 numMergedOcc 0
35 mol 152 unq 3 iso 1 dist 9.0847 9.37459 5.42328 8.41711 6.70283 5.87555 14.8573 8.56324 10.399 7.65448 numMergedOcc 0
36 mol 152 unq 4 iso 0 dist 9.0847 9.37459 5.42328 14.8573 8.56324 10.399 4.82496 7.16148 8.87437 10.6875 numMergedOcc 0
37 mol 152 unq 4 iso 1 dist 9.0847 9.37459 5.42328 4.82496 7.16148 8.87437 14.8573 8.56324 10.399 10.6875 numMergedOcc 0
38 mol 152 unq 4 iso 0 dist 9.0847 9.37459 5.42328 8.41711 6.70283 5.87555 4.82496 7.16148 8.87437 5.49936 numMergedOcc 0
39 mol 152 unq 4 iso 1 dist 9.0847 9.37459 5.42328 4.82496 7.16148 8.87437 8.41711 6.70283 5.87555 5.49936 numMergedOcc 0
40 mol 152 unq 5 iso 0 dist 9.0847 6.00061 6.4896 14.8573 8.56324 14.1618 8.41711 6.70283 8.67331 7.65448 numMergedOcc 0
41 mol 152 unq 5 iso 1 dist 9.0847 6.00061 6.4896 8.41711 6.70283 8.67331 14.8573 8.56324 14.1618 7.65448 numMergedOcc 0
42 mol 152 unq 6 iso 0 dist 9.0847 6.00061 6.4896 14.8573 8.56324 14.1618 4.82496 7.16148 8.05741 10.6875 numMergedOcc 0
43 mol 152 unq 6 iso 1 dist 9.0847 6.00061 6.4896 4.82496 7.16148 8.05741 14.8573 8.56324 14.1618 10.6875 numMergedOcc 0
44 mol 152 unq 6 iso 0 dist 9.0847 6.00061 6.4896 8.41711 6.70283 8.67331 4.82496 7.16148 8.05741 5.49936 numMergedOcc 0
45 mol 152 unq 6 iso 1 dist 9.0847 6.00061 6.4896 4.82496 7.16148 8.05741 8.41711 6.70283 8.67331 5.49936 numMergedOcc 0
46 mol 152 unq 7 iso 0 dist 9.0847 8.33302 10.2431 14.8573 8.56324 18.6528 8.41711 6.70283 13.8767 7.65448 numMergedOcc 0
47 mol 152 unq 7 iso 1 dist 9.0847 8.33302 10.2431 8.41711 6.70283 13.8767 14.8573 8.56324 18.6528 7.65448 numMergedOcc 0
48 mol 152 unq 8 iso 0 dist 9.0847 8.33302 10.2431 14.8573 8.56324 18.6528 4.82496 7.16148 11.4919 10.6875 numMergedOcc 0
49 mol 152 unq 8 iso 1 dist 9.0847 8.33302 10.2431 4.82496 7.16148 11.4919 14.8573 8.56324 18.6528 10.6875 numMergedOcc 0
50 mol 152 unq 8 iso 0 dist 9.0847 8.33302 10.2431 8.41711 6.70283 13.8767 4.82496 7.16148 11.4919 5.49936 numMergedOcc 0
51 mol 152 unq 8 iso 1 dist 9.0847 8.33302 10.2431 4.82496 7.16148 11.4919 8.41711 6.70283 13.8767 5.49936 numMergedOcc 0
52 mol 152 unq 9 iso 0 dist 6.00061 9.37459 5.54906 8.41711 8.67331 5.87555 4.82496 8.05741 8.87437 5.49936 numMergedOcc 0
53 mol 152 unq 9 iso 1 dist 6.00061 9.37459 5.54906 4.82496 8.05741 8.87437 8.41711 8.67331 5.87555 5.49936 numMergedOcc 0
54 mol 152 unq 10 iso 0 dist 6.00061 9.0847 6.4896 8.41711 8.67331 6.70283 4.82496 8.05741 7.16148 5.49936 numMergedOcc 0
55 mol 152 unq 10 iso 1 dist 6.00061 9.0847 6.4896 4.82496 8.05741 7.16148 8.41711 8.67331 6.70283 5.49936 numMergedOcc 0
56 mol 152 unq 11 iso 0 dist 6.00061 8.33302 5.68553 8.41711 8.67331 13.8767 4.82496 8.05741 11.4919 5.49936 numMergedOcc 0
57 mol 152 unq 11 iso 1 dist 6.00061 8.33302 5.68553 4.82496 8.05741 11.4919 8.41711 8.67331 13.8767 5.49936 numMergedOcc 0
58 mol 181 unq 0 iso 0 dist 7.15963 9.50454 11.9017 14.1493 9.1374 20.225 6.73556 5.98885 15.333 8.88798 numMergedOcc 0
59 mol 181 unq 0 iso 1 dist 7.15963 9.50454 11.9017 6.73556 5.98885 15.333 14.1493 9.1374 20.225 8.88798 numMergedOcc 0
60 mol 181 unq 1 iso 0 dist 7.15963 9.50454 11.9017 14.1493 9.1374 20.225 5.49666 9.15386 14.4936 12.1628 numMergedOcc 0
61 mol 181 unq 1 iso 1 dist 7.15963 9.50454 11.9017 5.49666 9.15386 14.4936 14.1493 9.1374 20.225 12.1628 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 7.15963 9.50454 11.9017 6.73556 5.98885 15.333 5.49666 9.15386 14.4936 5.16002 numMergedOcc 0
63 mol 181 unq 1 iso 1 dist 7.15963 9.50454 11.9017 5.49666 9.15386 14.4936 6.73556 5.98885 15.333 5.16002 numMergedOcc 0
64 mol 206 unq 0 iso 0 dist 7.51923 7.94694 5.63422 5.39127 8.02137 11.1804 5.1071 9.774 7.7366 10.4 numMergedOcc 0
65 mol 206 unq 0 iso 1 dist 7.51923 7.94694 5.63422 5.1071 9.774 7.7366 5.39127 8.02137 11.1804 10.4 numMergedOcc 0
66 mol 234 unq 0 iso 0 dist 6.15754 8.9413 5.88703 11.8245 8.34494 12.9605 12.4455 6.56247 9.45496 6.29886 numMergedOcc 0
67 mol 234 unq 0 iso 1 dist 6.15754 8.9413 5.88703 12.4455 6.56247 9.45496 11.8245 8.34494 12.9605 6.29886 numMergedOcc 0
68 mol 234 unq 1 iso 0 dist 6.15754 8.9413 5.88703 11.8245 8.34494 12.9605 14.0876 9.36357 6.7625 12.1694 numMergedOcc 0
69 mol 234 unq 1 iso 1 dist 6.15754 8.9413 5.88703 14.0876 9.36357 6.7625 11.8245 8.34494 12.9605 12.1694 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 6.15754 8.9413 5.88703 12.4455 6.56247 9.45496 14.0876 9.36357 6.7625 7.82322 numMergedOcc 0
71 mol 234 unq 1 iso 1 dist 6.15754 8.9413 5.88703 14.0876 9.36357 6.7625 12.4455 6.56247 9.45496 7.82322 numMergedOcc 0
72 mol 234 unq 2 iso 0 dist 8.9413 6.15754 5.88703 12.4455 9.45496 6.56247 14.0876 6.7625 9.36357 7.82322 numMergedOcc 0
73 mol 234 unq 2 iso 1 dist 8.9413 6.15754 5.88703 14.0876 6.7625 9.36357 12.4455 9.45496 6.56247 7.82322 numMergedOcc 0
74 mol 234 unq 3 iso 0 dist 4.91961 7.14333 10.2693 11.5103 9.45496 17.458 4.98993 6.7625 10.701 7.82322 numMergedOcc 0
75 mol 234 unq 3 iso 1 dist 4.91961 7.14333 10.2693 4.98993 6.7625 10.701 11.5103 9.45496 17.458 7.82322 numMergedOcc 0
76 mol 238 unq 0 iso 0 dist 5.99187 8.39522 14.0328 5.74685 6.22714 13.1053 5.87189 7.31233 11.101 5.34096 numMergedOcc 0
77 mol 238 unq 0 iso 1 dist 5.99187 8.39522 14.0328 5.87189 7.31233 11.101 5.74685 6.22714 13.1053 5.34096 numMergedOcc 0
78 mol 238 unq 1 iso 0 dist 5.99187 9.93378 6.85126 5.74685 6.22714 12.6642 5.87189 7.31233 13.1583 5.34096 numMergedOcc 0
79 mol 238 unq 1 iso 1 dist 5.99187 9.93378 6.85126 5.87189 7.31233 13.1583 5.74685 6.22714 12.6642 5.34096 numMergedOcc 0
80 mol 259 unq 0 iso 0 dist 5.29682 6.20344 4.69778 5.48552 8.53687 10.5767 5.56656 8.13497 7.88519 10.582 numMergedOcc 0
81 mol 259 unq 0 iso 1 dist 5.29682 6.20344 4.69778 5.56656 8.13497 7.88519 5.48552 8.53687 10.5767 10.582 numMergedOcc 0
82 mol 259 unq 1 iso 0 dist 6.20344 5.29682 4.69778 5.56656 7.88519 8.13497 6.08432 7.84554 9.95973 4.86771 numMergedOcc 0
83 mol 259 unq 1 iso 1 dist 6.20344 5.29682 4.69778 6.08432 7.84554 9.95973 5.56656 7.88519 8.13497 4.86771 numMergedOcc 0
84 mol 259 unq 2 iso 0 dist 6.20344 5.29682 4.69778 5.56656 7.88519 8.13497 10.3156 7.46176 10.3935 6.96053 numMergedOcc 0
85 mol 259 unq 2 iso 1 dist 6.20344 5.29682 4.69778 10.3156 7.46176 10.3935 5.56656 7.88519 8.13497 6.96053 numMergedOcc 0
86 mol 259 unq 3 iso 0 dist 6.20344 5.29682 4.69778 5.56656 7.88519 8.13497 9.55719 9.18903 12.6839 10.4881 numMergedOcc 0
87 mol 259 unq 3 iso 1 dist 6.20344 5.29682 4.69778 9.55719 9.18903 12.6839 5.56656 7.88519 8.13497 10.4881 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 6.20344 5.29682 4.69778 6.08432 7.84554 9.95973 10.3156 7.46176 10.3935 7.64658 numMergedOcc 0
89 mol 259 unq 2 iso 1 dist 6.20344 5.29682 4.69778 10.3156 7.46176 10.3935 6.08432 7.84554 9.95973 7.64658 numMergedOcc 0
90 mol 259 unq 3 iso 0 dist 6.20344 5.29682 4.69778 6.08432 7.84554 9.95973 9.55719 9.18903 12.6839 5.87173 numMergedOcc 0
91 mol 259 unq 3 iso 1 dist 6.20344 5.29682 4.69778 9.55719 9.18903 12.6839 6.08432 7.84554 9.95973 5.87173 numMergedOcc 0
92 mol 259 unq 3 iso 0 dist 6.20344 5.29682 4.69778 10.3156 7.46176 10.3935 9.55719 9.18903 12.6839 10.5239 numMergedOcc 0
93 mol 259 unq 3 iso 1 dist 6.20344 5.29682 4.69778 9.55719 9.18903 12.6839 10.3156 7.46176 10.3935 10.5239 numMergedOcc 0
94 mol 261 unq 0 iso 0 dist 6.85589 6.68878 4.63549 5.85483 7.73141 10.0703 4.31412 8.43057 6.05727 10.1239 numMergedOcc 0
95 mol 261 unq 0 iso 1 dist 6.85589 6.68878 4.63549 4.31412 8.43057 6.05727 5.85483 7.73141 10.0703 10.1239 numMergedOcc 0
