0 mol 73 unq 0 iso 0 dist 5.79954 14.1415 9.38498 12.8388 9.96396 15.7123 13.1044 8.70133 13.4082 7.41074 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 13.1044 8.70133 7.41074 13.4082 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 9.65653 9.75218 13.7412 13.1044 8.70133 13.4082 15.9882 numMergedOcc 0
3 mol 73 unq 1 iso 1 dist 5.79954 9.65653 9.75218 14.1415 9.38498 13.7412 13.1044 8.70133 15.9882 13.4082 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 13.1044 8.70133 7.41074 15.9882 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 5.79954 9.65653 9.75218 12.8388 9.96396 12.016 13.1044 8.70133 15.9882 7.41074 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.01889 7.9573 9.38498 15.0744 9.96396 15.7123 15.124 8.70133 13.4082 7.41074 numMergedOcc 0
7 mol 73 unq 2 iso 1 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 15.124 8.70133 7.41074 13.4082 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.01889 7.9573 9.38498 8.11922 9.75218 13.7412 15.124 8.70133 13.4082 15.9882 numMergedOcc 0
9 mol 73 unq 3 iso 1 dist 7.01889 8.11922 9.75218 7.9573 9.38498 13.7412 15.124 8.70133 15.9882 13.4082 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 15.124 8.70133 7.41074 15.9882 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 7.01889 8.11922 9.75218 15.0744 9.96396 12.016 15.124 8.70133 15.9882 7.41074 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 3.85308 7.66905 5.42586 13.0379 7.22293 7.98917 11.6116 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 9.22376 3.85308 7.66905 5.75796 7.47541 5.42586 13.0379 7.22293 11.6116 7.98917 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.22376 5.75796 7.47541 9.77828 5.73196 6.87425 13.0379 7.22293 7.98917 6.47779 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 9.22376 9.77828 5.73196 5.75796 7.47541 6.87425 13.0379 7.22293 6.47779 7.98917 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 9.77828 5.73196 10.1164 13.0379 7.22293 11.6116 6.47779 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 9.22376 9.77828 5.73196 3.85308 7.66905 10.1164 13.0379 7.22293 6.47779 11.6116 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 7.76275 13.1838 9.36773 12.6939 8.31336 5.57085 8.71166 9.2603 6.95868 6.97239 numMergedOcc 0
19 mol 88 unq 0 iso 1 dist 7.76275 12.6939 8.31336 13.1838 9.36773 5.57085 8.71166 9.2603 6.97239 6.95868 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.64822 7.88312 7.69052 7.97477 6.99777 10.8292 11.7126 numMergedOcc 0
21 mol 115 unq 0 iso 1 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 7.97477 6.99777 11.7126 10.8292 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 9.56867 9.97256 6.11741 7.64822 7.88312 7.69052 6.58038 9.14376 6.12943 4.62962 numMergedOcc 0
23 mol 115 unq 1 iso 1 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 6.58038 9.14376 4.62962 6.12943 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 12.4156 9.71307 6.81259 6.30187 5.42582 5.41704 6.17103 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 5.67862 12.4156 9.71307 9.52819 6.37586 6.81259 6.30187 5.42582 6.17103 5.41704 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 7.97208 12.5576 6.54501 9.52819 6.49416 5.00526 6.30187 8.6355 10.1448 5.41704 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 7.97208 9.52819 6.49416 12.5576 6.54501 5.00526 6.30187 8.6355 5.41704 10.1448 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 12.753 9.92231 7.42466 7.92448 9.0664 5.28109 7.14477 numMergedOcc 0
29 mol 175 unq 0 iso 1 dist 6.73365 12.753 9.92231 5.73338 5.6234 7.42466 7.92448 9.0664 7.14477 5.28109 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 6.6776 13.7028 9.0018 10.4662 5.6234 6.2715 10.2578 9.8589 8.22779 10.5631 numMergedOcc 0
31 mol 175 unq 1 iso 1 dist 6.6776 10.4662 5.6234 13.7028 9.0018 6.2715 10.2578 9.8589 10.5631 8.22779 numMergedOcc 0
32 mol 175 unq 2 iso 0 dist 6.6776 13.7028 9.0018 7.42609 6.57069 8.16421 10.2578 9.8589 8.22779 7.5414 numMergedOcc 0
33 mol 175 unq 2 iso 1 dist 6.6776 7.42609 6.57069 13.7028 9.0018 8.16421 10.2578 9.8589 7.5414 8.22779 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 6.6776 10.4662 5.6234 7.42609 6.57069 5.35493 10.2578 9.8589 10.5631 7.5414 numMergedOcc 0
35 mol 175 unq 2 iso 1 dist 6.6776 7.42609 6.57069 10.4662 5.6234 5.35493 10.2578 9.8589 7.5414 10.5631 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 9.54287 8.51516 10.8344 11.695 5.90931 5.09262 12.9483 numMergedOcc 0
37 mol 204 unq 0 iso 1 dist 7.7292 9.54287 8.51516 13.4646 7.10633 10.8344 11.695 5.90931 12.9483 5.09262 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 9.11345 7.14453 9.10746 13.377 6.97182 6.16485 5.33565 numMergedOcc 0
39 mol 214 unq 0 iso 1 dist 9.40003 9.11345 7.14453 16.5528 9.65138 9.10746 13.377 6.97182 5.33565 6.16485 numMergedOcc 0
40 mol 214 unq 1 iso 0 dist 9.40003 16.5528 9.65138 9.11345 7.14453 9.10746 9.36638 6.1175 11.5712 5.06792 numMergedOcc 0
41 mol 214 unq 1 iso 1 dist 9.40003 9.11345 7.14453 16.5528 9.65138 9.10746 9.36638 6.1175 5.06792 11.5712 numMergedOcc 0
42 mol 214 unq 2 iso 0 dist 9.40003 16.5528 9.65138 16.922 8.85478 4.40923 13.377 6.97182 6.16485 8.47007 numMergedOcc 0
43 mol 214 unq 2 iso 1 dist 9.40003 16.922 8.85478 16.5528 9.65138 4.40923 13.377 6.97182 8.47007 6.16485 numMergedOcc 0
44 mol 214 unq 3 iso 0 dist 9.40003 16.5528 9.65138 16.922 8.85478 4.40923 9.36638 6.1175 11.5712 12.8334 numMergedOcc 0
45 mol 214 unq 3 iso 1 dist 9.40003 16.922 8.85478 16.5528 9.65138 4.40923 9.36638 6.1175 12.8334 11.5712 numMergedOcc 0
46 mol 214 unq 2 iso 0 dist 9.40003 9.11345 7.14453 16.922 8.85478 11.3796 13.377 6.97182 5.33565 8.47007 numMergedOcc 0
47 mol 214 unq 2 iso 1 dist 9.40003 16.922 8.85478 9.11345 7.14453 11.3796 13.377 6.97182 8.47007 5.33565 numMergedOcc 0
48 mol 214 unq 3 iso 0 dist 9.40003 9.11345 7.14453 16.922 8.85478 11.3796 9.36638 6.1175 5.06792 12.8334 numMergedOcc 0
49 mol 214 unq 3 iso 1 dist 9.40003 16.922 8.85478 9.11345 7.14453 11.3796 9.36638 6.1175 12.8334 5.06792 numMergedOcc 0
50 mol 214 unq 4 iso 0 dist 8.68385 10.2443 9.65138 12.5421 7.14453 9.10746 8.07861 6.97182 6.16485 5.33565 numMergedOcc 0
51 mol 214 unq 4 iso 1 dist 8.68385 12.5421 7.14453 10.2443 9.65138 9.10746 8.07861 6.97182 5.33565 6.16485 numMergedOcc 0
52 mol 214 unq 5 iso 0 dist 8.68385 10.2443 9.65138 12.5421 7.14453 9.10746 10.2576 6.1175 11.5712 5.06792 numMergedOcc 0
53 mol 214 unq 5 iso 1 dist 8.68385 12.5421 7.14453 10.2443 9.65138 9.10746 10.2576 6.1175 5.06792 11.5712 numMergedOcc 0
54 mol 214 unq 6 iso 0 dist 8.68385 10.2443 9.65138 9.18071 8.85478 4.40923 8.07861 6.97182 6.16485 8.47007 numMergedOcc 0
55 mol 214 unq 6 iso 1 dist 8.68385 9.18071 8.85478 10.2443 9.65138 4.40923 8.07861 6.97182 8.47007 6.16485 numMergedOcc 0
56 mol 214 unq 7 iso 0 dist 8.68385 10.2443 9.65138 9.18071 8.85478 4.40923 10.2576 6.1175 11.5712 12.8334 numMergedOcc 0
57 mol 214 unq 7 iso 1 dist 8.68385 9.18071 8.85478 10.2443 9.65138 4.40923 10.2576 6.1175 12.8334 11.5712 numMergedOcc 0
58 mol 214 unq 6 iso 0 dist 8.68385 12.5421 7.14453 9.18071 8.85478 11.3796 8.07861 6.97182 5.33565 8.47007 numMergedOcc 0
59 mol 214 unq 6 iso 1 dist 8.68385 9.18071 8.85478 12.5421 7.14453 11.3796 8.07861 6.97182 8.47007 5.33565 numMergedOcc 0
60 mol 214 unq 7 iso 0 dist 8.68385 12.5421 7.14453 9.18071 8.85478 11.3796 10.2576 6.1175 5.06792 12.8334 numMergedOcc 0
61 mol 214 unq 7 iso 1 dist 8.68385 9.18071 8.85478 12.5421 7.14453 11.3796 10.2576 6.1175 12.8334 5.06792 numMergedOcc 0
62 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 15.396 8.24498 10.5449 10.4277 6.84247 6.7067 6.05129 numMergedOcc 0
63 mol 220 unq 0 iso 1 dist 8.9077 15.396 8.24498 10.6943 9.23153 10.5449 10.4277 6.84247 6.05129 6.7067 numMergedOcc 0
64 mol 220 unq 1 iso 0 dist 8.9077 10.6943 9.23153 15.396 8.24498 10.5449 12.6281 6.99002 15.9568 11.1321 numMergedOcc 0
65 mol 220 unq 1 iso 1 dist 8.9077 15.396 8.24498 10.6943 9.23153 10.5449 12.6281 6.99002 11.1321 15.9568 numMergedOcc 0
66 mol 222 unq 0 iso 0 dist 8.69148 6.52189 8.01589 5.33282 7.7699 10.4579 8.62626 6.82208 4.8892 11.0074 numMergedOcc 0
67 mol 222 unq 0 iso 1 dist 8.69148 5.33282 7.7699 6.52189 8.01589 10.4579 8.62626 6.82208 11.0074 4.8892 numMergedOcc 0
68 mol 222 unq 1 iso 0 dist 8.69148 6.52189 8.01589 9.97859 7.21333 13.3522 8.62626 6.82208 4.8892 12.2813 numMergedOcc 0
69 mol 222 unq 1 iso 1 dist 8.69148 9.97859 7.21333 6.52189 8.01589 13.3522 8.62626 6.82208 12.2813 4.8892 numMergedOcc 0
70 mol 222 unq 1 iso 0 dist 8.69148 5.33282 7.7699 9.97859 7.21333 5.24516 8.62626 6.82208 11.0074 12.2813 numMergedOcc 0
71 mol 222 unq 1 iso 1 dist 8.69148 9.97859 7.21333 5.33282 7.7699 5.24516 8.62626 6.82208 12.2813 11.0074 numMergedOcc 0
72 mol 224 unq 0 iso 0 dist 7.04127 11.7724 9.40098 4.55824 6.61986 9.54151 9.20195 8.19953 8.64911 10.7113 numMergedOcc 0
73 mol 224 unq 0 iso 1 dist 7.04127 4.55824 6.61986 11.7724 9.40098 9.54151 9.20195 8.19953 10.7113 8.64911 numMergedOcc 0
74 mol 236 unq 0 iso 0 dist 9.97357 8.3919 8.03456 4.88785 6.84306 5.79505 11.4732 7.17676 11.8759 11.3552 numMergedOcc 0
75 mol 236 unq 0 iso 1 dist 9.97357 4.88785 6.84306 8.3919 8.03456 5.79505 11.4732 7.17676 11.3552 11.8759 numMergedOcc 0
76 mol 236 unq 1 iso 0 dist 9.97357 8.3919 8.03456 4.88785 6.84306 5.79505 14.1057 6.68463 9.07822 11.6837 numMergedOcc 0
77 mol 236 unq 1 iso 1 dist 9.97357 4.88785 6.84306 8.3919 8.03456 5.79505 14.1057 6.68463 11.6837 9.07822 numMergedOcc 0
78 mol 236 unq 2 iso 0 dist 9.97357 8.3919 8.03456 10.2557 9.99038 9.90963 11.4732 7.17676 11.8759 6.04825 numMergedOcc 0
79 mol 236 unq 2 iso 1 dist 9.97357 10.2557 9.99038 8.3919 8.03456 9.90963 11.4732 7.17676 6.04825 11.8759 numMergedOcc 0
80 mol 236 unq 3 iso 0 dist 9.97357 8.3919 8.03456 10.2557 9.99038 9.90963 14.1057 6.68463 9.07822 8.8265 numMergedOcc 0
81 mol 236 unq 3 iso 1 dist 9.97357 10.2557 9.99038 8.3919 8.03456 9.90963 14.1057 6.68463 8.8265 9.07822 numMergedOcc 0
82 mol 236 unq 4 iso 0 dist 9.97357 8.3919 8.03456 14.6755 9.78037 6.96005 11.4732 7.17676 11.8759 12.6468 numMergedOcc 0
83 mol 236 unq 4 iso 1 dist 9.97357 14.6755 9.78037 8.3919 8.03456 6.96005 11.4732 7.17676 12.6468 11.8759 numMergedOcc 0
84 mol 236 unq 5 iso 0 dist 9.97357 8.3919 8.03456 14.6755 9.78037 6.96005 14.1057 6.68463 9.07822 5.80136 numMergedOcc 0
85 mol 236 unq 5 iso 1 dist 9.97357 14.6755 9.78037 8.3919 8.03456 6.96005 14.1057 6.68463 5.80136 9.07822 numMergedOcc 0
86 mol 236 unq 6 iso 0 dist 9.97357 8.3919 8.03456 16.5918 8.35971 14.2337 11.4732 7.17676 11.8759 6.40312 numMergedOcc 0
87 mol 236 unq 6 iso 1 dist 9.97357 16.5918 8.35971 8.3919 8.03456 14.2337 11.4732 7.17676 6.40312 11.8759 numMergedOcc 0
88 mol 236 unq 7 iso 0 dist 9.97357 8.3919 8.03456 16.5918 8.35971 14.2337 14.1057 6.68463 9.07822 6.2568 numMergedOcc 0
89 mol 236 unq 7 iso 1 dist 9.97357 16.5918 8.35971 8.3919 8.03456 14.2337 14.1057 6.68463 6.2568 9.07822 numMergedOcc 0
90 mol 236 unq 2 iso 0 dist 9.97357 4.88785 6.84306 10.2557 9.99038 11.3368 11.4732 7.17676 11.3552 6.04825 numMergedOcc 0
91 mol 236 unq 2 iso 1 dist 9.97357 10.2557 9.99038 4.88785 6.84306 11.3368 11.4732 7.17676 6.04825 11.3552 numMergedOcc 0
92 mol 236 unq 3 iso 0 dist 9.97357 4.88785 6.84306 10.2557 9.99038 11.3368 14.1057 6.68463 11.6837 8.8265 numMergedOcc 0
93 mol 236 unq 3 iso 1 dist 9.97357 10.2557 9.99038 4.88785 6.84306 11.3368 14.1057 6.68463 8.8265 11.6837 numMergedOcc 0
94 mol 236 unq 4 iso 0 dist 9.97357 4.88785 6.84306 14.6755 9.78037 11.8739 11.4732 7.17676 11.3552 12.6468 numMergedOcc 0
95 mol 236 unq 4 iso 1 dist 9.97357 14.6755 9.78037 4.88785 6.84306 11.8739 11.4732 7.17676 12.6468 11.3552 numMergedOcc 0
96 mol 236 unq 5 iso 0 dist 9.97357 4.88785 6.84306 14.6755 9.78037 11.8739 14.1057 6.68463 11.6837 5.80136 numMergedOcc 0
97 mol 236 unq 5 iso 1 dist 9.97357 14.6755 9.78037 4.88785 6.84306 11.8739 14.1057 6.68463 5.80136 11.6837 numMergedOcc 0
98 mol 236 unq 6 iso 0 dist 9.97357 4.88785 6.84306 16.5918 8.35971 14.7998 11.4732 7.17676 11.3552 6.40312 numMergedOcc 0
99 mol 236 unq 6 iso 1 dist 9.97357 16.5918 8.35971 4.88785 6.84306 14.7998 11.4732 7.17676 6.40312 11.3552 numMergedOcc 0
100 mol 236 unq 7 iso 0 dist 9.97357 4.88785 6.84306 16.5918 8.35971 14.7998 14.1057 6.68463 11.6837 6.2568 numMergedOcc 0
101 mol 236 unq 7 iso 1 dist 9.97357 16.5918 8.35971 4.88785 6.84306 14.7998 14.1057 6.68463 6.2568 11.6837 numMergedOcc 0
102 mol 236 unq 4 iso 0 dist 9.97357 10.2557 9.99038 14.6755 9.78037 11.1557 11.4732 7.17676 6.04825 12.6468 numMergedOcc 0
103 mol 236 unq 4 iso 1 dist 9.97357 14.6755 9.78037 10.2557 9.99038 11.1557 11.4732 7.17676 12.6468 6.04825 numMergedOcc 0
104 mol 236 unq 5 iso 0 dist 9.97357 10.2557 9.99038 14.6755 9.78037 11.1557 14.1057 6.68463 8.8265 5.80136 numMergedOcc 0
105 mol 236 unq 5 iso 1 dist 9.97357 14.6755 9.78037 10.2557 9.99038 11.1557 14.1057 6.68463 5.80136 8.8265 numMergedOcc 0
106 mol 236 unq 6 iso 0 dist 9.97357 10.2557 9.99038 16.5918 8.35971 10.7497 11.4732 7.17676 6.04825 6.40312 numMergedOcc 0
107 mol 236 unq 6 iso 1 dist 9.97357 16.5918 8.35971 10.2557 9.99038 10.7497 11.4732 7.17676 6.40312 6.04825 numMergedOcc 0
108 mol 236 unq 7 iso 0 dist 9.97357 10.2557 9.99038 16.5918 8.35971 10.7497 14.1057 6.68463 8.8265 6.2568 numMergedOcc 0
109 mol 236 unq 7 iso 1 dist 9.97357 16.5918 8.35971 10.2557 9.99038 10.7497 14.1057 6.68463 6.2568 8.8265 numMergedOcc 0
110 mol 236 unq 6 iso 0 dist 9.97357 14.6755 9.78037 16.5918 8.35971 12.0369 11.4732 7.17676 12.6468 6.40312 numMergedOcc 0
111 mol 236 unq 6 iso 1 dist 9.97357 16.5918 8.35971 14.6755 9.78037 12.0369 11.4732 7.17676 6.40312 12.6468 numMergedOcc 0
112 mol 236 unq 7 iso 0 dist 9.97357 14.6755 9.78037 16.5918 8.35971 12.0369 14.1057 6.68463 5.80136 6.2568 numMergedOcc 0
113 mol 236 unq 7 iso 1 dist 9.97357 16.5918 8.35971 14.6755 9.78037 12.0369 14.1057 6.68463 6.2568 5.80136 numMergedOcc 0
114 mol 236 unq 8 iso 0 dist 6.36941 8.3919 9.81562 4.88785 7.68742 5.79505 11.4732 5.34718 11.8759 11.3552 numMergedOcc 0
115 mol 236 unq 8 iso 1 dist 6.36941 4.88785 7.68742 8.3919 9.81562 5.79505 11.4732 5.34718 11.3552 11.8759 numMergedOcc 0
116 mol 236 unq 9 iso 0 dist 6.36941 8.3919 9.81562 10.2557 6.27581 9.90963 11.4732 5.34718 11.8759 6.04825 numMergedOcc 0
117 mol 236 unq 9 iso 1 dist 6.36941 10.2557 6.27581 8.3919 9.81562 9.90963 11.4732 5.34718 6.04825 11.8759 numMergedOcc 0
118 mol 236 unq 9 iso 0 dist 6.36941 4.88785 7.68742 10.2557 6.27581 11.3368 11.4732 5.34718 11.3552 6.04825 numMergedOcc 0
119 mol 236 unq 9 iso 1 dist 6.36941 10.2557 6.27581 4.88785 7.68742 11.3368 11.4732 5.34718 6.04825 11.3552 numMergedOcc 0
120 mol 272 unq 0 iso 0 dist 6.62923 11.9042 9.97651 5.27123 8.46116 8.12676 6.99865 9.09992 10.841 5.63139 numMergedOcc 0
121 mol 272 unq 0 iso 1 dist 6.62923 5.27123 8.46116 11.9042 9.97651 8.12676 6.99865 9.09992 5.63139 10.841 numMergedOcc 0
122 mol 272 unq 1 iso 0 dist 6.62923 11.9042 9.97651 5.27123 8.46116 8.12676 10.3424 6.16449 4.72202 8.52877 numMergedOcc 0
123 mol 272 unq 1 iso 1 dist 6.62923 5.27123 8.46116 11.9042 9.97651 8.12676 10.3424 6.16449 8.52877 4.72202 numMergedOcc 0
124 mol 276 unq 0 iso 0 dist 5.30976 7.38126 9.8993 6.39319 6.87396 6.88557 10.4141 8.76347 7.54851 6.4102 numMergedOcc 0
125 mol 276 unq 0 iso 1 dist 5.30976 6.39319 6.87396 7.38126 9.8993 6.88557 10.4141 8.76347 6.4102 7.54851 numMergedOcc 0
