0 mol 90 unq 0 iso 0 dist 9.30724 9.43289 8.39016 3.97343 6.99355 7.60026 11.109 9.56752 9.60325 7.25602 numMergedOcc 0
1 mol 90 unq 0 iso 1 dist 9.30724 3.97343 6.99355 9.43289 8.39016 7.60026 11.109 9.56752 7.25602 9.60325 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 4.32564 7.06013 5.02055 11.6798 7.1539 8.55834 8.51055 numMergedOcc 0
3 mol 92 unq 0 iso 1 dist 7.57958 4.32564 7.06013 4.71849 5.81965 5.02055 11.6798 7.1539 8.51055 8.55834 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.57958 4.71849 5.81965 4.32564 7.06013 5.02055 12.656 5.39745 9.50382 11.3858 numMergedOcc 0
5 mol 92 unq 1 iso 1 dist 7.57958 4.32564 7.06013 4.71849 5.81965 5.02055 12.656 5.39745 11.3858 9.50382 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.57958 4.71849 5.81965 13.6329 9.70512 8.95922 11.6798 7.1539 8.55834 7.76866 numMergedOcc 0
7 mol 92 unq 2 iso 1 dist 7.57958 13.6329 9.70512 4.71849 5.81965 8.95922 11.6798 7.1539 7.76866 8.55834 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 7.57958 4.71849 5.81965 13.6329 9.70512 8.95922 12.656 5.39745 9.50382 7.56363 numMergedOcc 0
9 mol 92 unq 3 iso 1 dist 7.57958 13.6329 9.70512 4.71849 5.81965 8.95922 12.656 5.39745 7.56363 9.50382 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 7.57958 4.32564 7.06013 13.6329 9.70512 12.4494 11.6798 7.1539 8.51055 7.76866 numMergedOcc 0
11 mol 92 unq 2 iso 1 dist 7.57958 13.6329 9.70512 4.32564 7.06013 12.4494 11.6798 7.1539 7.76866 8.51055 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 7.57958 4.32564 7.06013 13.6329 9.70512 12.4494 12.656 5.39745 11.3858 7.56363 numMergedOcc 0
13 mol 92 unq 3 iso 1 dist 7.57958 13.6329 9.70512 4.32564 7.06013 12.4494 12.656 5.39745 7.56363 11.3858 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.90328 10.071 9.39469 5.89399 4.76815 6.90824 12.9454 7.09065 9.36726 7.16919 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 7.90328 5.89399 4.76815 10.071 9.39469 6.90824 12.9454 7.09065 7.16919 9.36726 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 5.85391 9.63176 11.6667 12.2067 7.26955 5.92984 15.5019 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 8.95838 5.85391 9.63176 7.38295 7.39889 11.6667 12.2067 7.26955 15.5019 5.92984 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.95838 7.38295 7.39889 11.0075 7.44174 11.3169 12.2067 7.26955 5.92984 10.314 numMergedOcc 0
19 mol 119 unq 1 iso 1 dist 8.95838 11.0075 7.44174 7.38295 7.39889 11.3169 12.2067 7.26955 10.314 5.92984 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.95838 5.85391 9.63176 11.0075 7.44174 12.4603 12.2067 7.26955 15.5019 10.314 numMergedOcc 0
21 mol 119 unq 1 iso 1 dist 8.95838 11.0075 7.44174 5.85391 9.63176 12.4603 12.2067 7.26955 10.314 15.5019 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 9.47892 9.58951 7.39889 18.2257 9.63176 11.6667 4.09788 7.26955 5.92984 15.5019 numMergedOcc 0
23 mol 119 unq 2 iso 1 dist 9.47892 18.2257 9.63176 9.58951 7.39889 11.6667 4.09788 7.26955 15.5019 5.92984 numMergedOcc 0
24 mol 119 unq 3 iso 0 dist 9.47892 9.58951 7.39889 9.93013 7.44174 11.3169 4.09788 7.26955 5.92984 10.314 numMergedOcc 0
25 mol 119 unq 3 iso 1 dist 9.47892 9.93013 7.44174 9.58951 7.39889 11.3169 4.09788 7.26955 10.314 5.92984 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 9.47892 18.2257 9.63176 9.93013 7.44174 12.4603 4.09788 7.26955 15.5019 10.314 numMergedOcc 0
27 mol 119 unq 3 iso 1 dist 9.47892 9.93013 7.44174 18.2257 9.63176 12.4603 4.09788 7.26955 10.314 15.5019 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 10.5005 7.7056 5.72828 14.3207 6.46089 10.0059 8.57817 numMergedOcc 0
29 mol 143 unq 0 iso 1 dist 9.43335 10.5005 7.7056 5.69675 7.31468 5.72828 14.3207 6.46089 8.57817 10.0059 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 9.9492 9.79072 7.31468 5.80488 7.7056 5.72828 6.3462 6.46089 10.0059 8.57817 numMergedOcc 0
31 mol 143 unq 1 iso 1 dist 9.9492 5.80488 7.7056 9.79072 7.31468 5.72828 6.3462 6.46089 8.57817 10.0059 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 7.62575 14.7279 9.86313 10.4606 7.51198 5.71071 8.61147 9.80845 11.0769 5.50031 numMergedOcc 0
33 mol 155 unq 0 iso 1 dist 7.62575 10.4606 7.51198 14.7279 9.86313 5.71071 8.61147 9.80845 5.50031 11.0769 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 7.62575 14.7279 9.86313 10.4606 7.51198 5.71071 5.45915 7.55196 10.4923 6.89781 numMergedOcc 0
35 mol 155 unq 1 iso 1 dist 7.62575 10.4606 7.51198 14.7279 9.86313 5.71071 5.45915 7.55196 6.89781 10.4923 numMergedOcc 0
36 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 10.8336 6.98095 4.83994 7.6477 8.41245 6.14414 5.27321 numMergedOcc 0
37 mol 173 unq 0 iso 1 dist 9.56248 10.8336 6.98095 8.11337 7.93331 4.83994 7.6477 8.41245 5.27321 6.14414 numMergedOcc 0
38 mol 173 unq 1 iso 0 dist 9.56248 8.11337 7.93331 10.8336 6.98095 4.83994 5.04427 6.64779 4.72839 8.07089 numMergedOcc 0
39 mol 173 unq 1 iso 1 dist 9.56248 10.8336 6.98095 8.11337 7.93331 4.83994 5.04427 6.64779 8.07089 4.72839 numMergedOcc 0
40 mol 173 unq 2 iso 0 dist 9.56248 8.11337 7.93331 10.6484 8.31897 5.16343 7.6477 8.41245 6.14414 10.8609 numMergedOcc 0
41 mol 173 unq 2 iso 1 dist 9.56248 10.6484 8.31897 8.11337 7.93331 5.16343 7.6477 8.41245 10.8609 6.14414 numMergedOcc 0
42 mol 173 unq 3 iso 0 dist 9.56248 8.11337 7.93331 10.6484 8.31897 5.16343 5.04427 6.64779 4.72839 5.70743 numMergedOcc 0
43 mol 173 unq 3 iso 1 dist 9.56248 10.6484 8.31897 8.11337 7.93331 5.16343 5.04427 6.64779 5.70743 4.72839 numMergedOcc 0
44 mol 173 unq 2 iso 0 dist 9.56248 10.8336 6.98095 10.6484 8.31897 8.17887 7.6477 8.41245 5.27321 10.8609 numMergedOcc 0
45 mol 173 unq 2 iso 1 dist 9.56248 10.6484 8.31897 10.8336 6.98095 8.17887 7.6477 8.41245 10.8609 5.27321 numMergedOcc 0
46 mol 173 unq 3 iso 0 dist 9.56248 10.8336 6.98095 10.6484 8.31897 8.17887 5.04427 6.64779 8.07089 5.70743 numMergedOcc 0
47 mol 173 unq 3 iso 1 dist 9.56248 10.6484 8.31897 10.8336 6.98095 8.17887 5.04427 6.64779 5.70743 8.07089 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 7.79085 12.6449 7.07392 12.0243 9.62952 4.96364 9.77057 7.10413 6.2188 6.09015 numMergedOcc 0
49 mol 232 unq 0 iso 1 dist 7.79085 12.0243 9.62952 12.6449 7.07392 4.96364 9.77057 7.10413 6.09015 6.2188 numMergedOcc 0
50 mol 232 unq 1 iso 0 dist 6.48753 10.0878 7.07392 9.58249 9.62952 4.96364 9.30551 7.10413 6.2188 6.09015 numMergedOcc 0
51 mol 232 unq 1 iso 1 dist 6.48753 9.58249 9.62952 10.0878 7.07392 4.96364 9.30551 7.10413 6.09015 6.2188 numMergedOcc 0
52 mol 232 unq 2 iso 0 dist 7.83802 8.32185 7.07392 8.24395 9.62952 4.96364 10.6834 7.10413 6.2188 6.09015 numMergedOcc 0
53 mol 232 unq 2 iso 1 dist 7.83802 8.24395 9.62952 8.32185 7.07392 4.96364 10.6834 7.10413 6.09015 6.2188 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 6.24435 6.76977 6.05141 10.4548 8.09066 5.6348 5.18265 8.09718 10.7081 12.2874 numMergedOcc 0
55 mol 238 unq 0 iso 1 dist 6.24435 10.4548 8.09066 6.76977 6.05141 5.6348 5.18265 8.09718 12.2874 10.7081 numMergedOcc 0
56 mol 238 unq 1 iso 0 dist 6.24435 6.76977 6.05141 10.4548 8.09066 5.6348 4.30687 6.73446 5.50308 7.11984 numMergedOcc 0
57 mol 238 unq 1 iso 1 dist 6.24435 10.4548 8.09066 6.76977 6.05141 5.6348 4.30687 6.73446 7.11984 5.50308 numMergedOcc 0
58 mol 238 unq 2 iso 0 dist 6.24435 6.76977 6.05141 10.7712 7.2766 8.87326 5.18265 8.09718 10.7081 10.4017 numMergedOcc 0
59 mol 238 unq 2 iso 1 dist 6.24435 10.7712 7.2766 6.76977 6.05141 8.87326 5.18265 8.09718 10.4017 10.7081 numMergedOcc 0
60 mol 238 unq 3 iso 0 dist 6.24435 6.76977 6.05141 10.7712 7.2766 8.87326 4.30687 6.73446 5.50308 7.95232 numMergedOcc 0
61 mol 238 unq 3 iso 1 dist 6.24435 10.7712 7.2766 6.76977 6.05141 8.87326 4.30687 6.73446 7.95232 5.50308 numMergedOcc 0
62 mol 238 unq 2 iso 0 dist 6.24435 10.4548 8.09066 10.7712 7.2766 5.31152 5.18265 8.09718 12.2874 10.4017 numMergedOcc 0
63 mol 238 unq 2 iso 1 dist 6.24435 10.7712 7.2766 10.4548 8.09066 5.31152 5.18265 8.09718 10.4017 12.2874 numMergedOcc 0
64 mol 238 unq 3 iso 0 dist 6.24435 10.4548 8.09066 10.7712 7.2766 5.31152 4.30687 6.73446 7.11984 7.95232 numMergedOcc 0
65 mol 238 unq 3 iso 1 dist 6.24435 10.7712 7.2766 10.4548 8.09066 5.31152 4.30687 6.73446 7.95232 7.11984 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.7699 8.37865 12.5353 11.7116 8.71497 8.81835 8.75685 numMergedOcc 0
67 mol 259 unq 0 iso 1 dist 9.53092 12.7699 8.37865 4.77548 7.48005 12.5353 11.7116 8.71497 8.75685 8.81835 numMergedOcc 0
68 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 14.3567 7.32347 5.39891 9.11162 6.8972 7.80785 6.6348 numMergedOcc 0
69 mol 282 unq 0 iso 1 dist 9.20119 14.3567 7.32347 12.5533 6.85028 5.39891 9.11162 6.8972 6.6348 7.80785 numMergedOcc 0
70 mol 282 unq 1 iso 0 dist 9.20119 12.5533 6.85028 6.32603 8.3411 7.76539 9.11162 6.8972 7.80785 6.3458 numMergedOcc 0
71 mol 282 unq 1 iso 1 dist 9.20119 6.32603 8.3411 12.5533 6.85028 7.76539 9.11162 6.8972 6.3458 7.80785 numMergedOcc 0
72 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 6.32603 8.3411 10.5372 9.11162 6.8972 6.6348 6.3458 numMergedOcc 0
73 mol 282 unq 1 iso 1 dist 9.20119 6.32603 8.3411 14.3567 7.32347 10.5372 9.11162 6.8972 6.3458 6.6348 numMergedOcc 0
74 mol 282 unq 2 iso 0 dist 8.96997 4.64783 6.85028 10.0286 7.32347 5.39891 10.842 6.8972 7.80785 6.6348 numMergedOcc 0
75 mol 282 unq 2 iso 1 dist 8.96997 10.0286 7.32347 4.64783 6.85028 5.39891 10.842 6.8972 6.6348 7.80785 numMergedOcc 0
76 mol 282 unq 3 iso 0 dist 8.96997 4.64783 6.85028 7.65702 8.3411 7.76539 10.842 6.8972 7.80785 6.3458 numMergedOcc 0
77 mol 282 unq 3 iso 1 dist 8.96997 7.65702 8.3411 4.64783 6.85028 7.76539 10.842 6.8972 6.3458 7.80785 numMergedOcc 0
78 mol 282 unq 3 iso 0 dist 8.96997 10.0286 7.32347 7.65702 8.3411 10.5372 10.842 6.8972 6.6348 6.3458 numMergedOcc 0
79 mol 282 unq 3 iso 1 dist 8.96997 7.65702 8.3411 10.0286 7.32347 10.5372 10.842 6.8972 6.3458 6.6348 numMergedOcc 0
