0 mol 7 unq 0 iso 0 dist 7.10621 7.31201 10.789 9.36807 10.515 6.57017 6.1206 7.12508 4.40641 7.92429 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 9.36807 10.515 7.31201 10.789 6.57017 6.1206 7.12508 7.92429 4.40641 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 9.36807 10.515 6.57017 7.67927 11.143 5.03278 11.2233 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 7.10621 9.36807 10.515 7.31201 10.789 6.57017 7.67927 11.143 11.2233 5.03278 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 9.25235 5.37521 4.61166 7.80898 12.1193 7.15936 10.8763 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 9.36773 9.25235 5.37521 8.66514 8.4283 4.61166 7.80898 12.1193 10.8763 7.15936 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 7.64585 10.2377 12.0796 6.39384 6.63111 6.49835 5.65471 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 9.33865 7.64585 10.2377 9.66954 6.09023 12.0796 6.39384 6.63111 5.65471 6.49835 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 6.11741 9.66954 4.61908 7.64585 10.8939 12.0796 6.39384 6.07067 6.49835 5.65471 numMergedOcc 0
9 mol 115 unq 1 iso 1 dist 6.11741 7.64585 10.8939 9.66954 4.61908 12.0796 6.39384 6.07067 5.65471 6.49835 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 7.46303 9.14392 6.3845 7.51198 5.86939 7.63368 8.97626 9.16779 12.0485 4.48516 numMergedOcc 0
11 mol 155 unq 0 iso 1 dist 7.46303 7.51198 5.86939 9.14392 6.3845 7.63368 8.97626 9.16779 4.48516 12.0485 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 6.43582 9.14392 12.1814 7.51198 6.34186 7.63368 8.97626 4.91785 12.0485 4.48516 numMergedOcc 0
13 mol 155 unq 1 iso 1 dist 6.43582 7.51198 6.34186 9.14392 12.1814 7.63368 8.97626 4.91785 4.48516 12.0485 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 7.37327 11.1462 6.46849 6.64173 6.8757 4.48306 4.88823 numMergedOcc 0
15 mol 181 unq 0 iso 1 dist 7.81386 7.37327 11.1462 7.98142 9.53462 6.46849 6.64173 6.8757 4.88823 4.48306 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 7.37327 11.1462 6.46849 9.01624 5.71898 12.2513 14.8923 numMergedOcc 0
17 mol 181 unq 1 iso 1 dist 7.81386 7.37327 11.1462 7.98142 9.53462 6.46849 9.01624 5.71898 14.8923 12.2513 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 7.37327 11.1462 6.46849 9.55105 5.83796 10.2172 14.2334 numMergedOcc 0
19 mol 181 unq 2 iso 1 dist 7.81386 7.37327 11.1462 7.98142 9.53462 6.46849 9.55105 5.83796 14.2334 10.2172 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 6.64173 10.6474 4.48306 4.88823 numMergedOcc 0
21 mol 181 unq 3 iso 1 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 6.64173 10.6474 4.88823 4.48306 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 9.01624 5.93724 12.2513 14.8923 numMergedOcc 0
23 mol 181 unq 4 iso 1 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 9.01624 5.93724 14.8923 12.2513 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 9.55105 5.12833 10.2172 14.2334 numMergedOcc 0
25 mol 181 unq 5 iso 1 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 9.55105 5.12833 14.2334 10.2172 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.65138 6.97182 6.16485 6.1175 11.5712 5.93129 7.46481 11.4955 11.357 10.9581 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 9.65138 6.1175 11.5712 6.97182 6.16485 5.93129 7.46481 11.4955 10.9581 11.357 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 7.14453 6.97182 5.33565 6.1175 5.06792 5.93129 7.46481 8.459 11.357 10.9581 numMergedOcc 0
29 mol 214 unq 1 iso 1 dist 7.14453 6.1175 5.06792 6.97182 5.33565 5.93129 7.46481 8.459 10.9581 11.357 numMergedOcc 0
30 mol 214 unq 2 iso 0 dist 8.85478 6.97182 8.47007 6.1175 12.8334 5.93129 7.46481 11.1534 11.357 10.9581 numMergedOcc 0
31 mol 214 unq 2 iso 1 dist 8.85478 6.1175 12.8334 6.97182 8.47007 5.93129 7.46481 11.1534 10.9581 11.357 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 8.65997 9.62609 14.6185 6.95902 6.43754 8.55671 6.91318 5.0317 11.5454 4.09934 numMergedOcc 0
33 mol 227 unq 0 iso 1 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 6.91318 5.0317 4.09934 11.5454 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.85175 11.216 5.32617 7.81215 12.4252 11.8229 10.5304 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 9.45496 7.85175 11.216 9.5707 15.9563 5.32617 7.81215 12.4252 10.5304 11.8229 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 6.7625 9.5707 14.4106 7.85175 11.4315 5.32617 7.81215 5.75498 11.8229 10.5304 numMergedOcc 0
37 mol 234 unq 1 iso 1 dist 6.7625 7.85175 11.4315 9.5707 14.4106 5.32617 7.81215 5.75498 10.5304 11.8229 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 7.31233 6.55759 10.4664 7.02475 11.2717 6.44245 9.12776 10.3162 15.4844 13.037 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 7.31233 7.02475 11.2717 6.55759 10.4664 6.44245 9.12776 10.3162 13.037 15.4844 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 7.67322 12.6986 10.677 9.12776 10.3162 15.4844 9.75095 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 7.31233 7.67322 12.6986 6.55759 10.4664 10.677 9.12776 10.3162 9.75095 15.4844 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 7.31233 6.55759 10.4664 7.19008 5.17471 12.1411 9.12776 10.3162 15.4844 6.12722 numMergedOcc 0
43 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 6.55759 10.4664 12.1411 9.12776 10.3162 6.12722 15.4844 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 7.31233 7.02475 11.2717 7.67322 12.6986 5.44694 9.12776 10.3162 13.037 9.75095 numMergedOcc 0
45 mol 238 unq 1 iso 1 dist 7.31233 7.67322 12.6986 7.02475 11.2717 5.44694 9.12776 10.3162 9.75095 13.037 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 7.19008 5.17471 10.1756 9.12776 10.3162 13.037 6.12722 numMergedOcc 0
47 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 7.02475 11.2717 10.1756 9.12776 10.3162 6.12722 13.037 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 7.31233 7.67322 12.6986 7.19008 5.17471 9.50847 9.12776 10.3162 9.75095 6.12722 numMergedOcc 0
49 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 7.67322 12.6986 9.50847 9.12776 10.3162 6.12722 9.75095 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 5.30224 6.77938 4.99891 7.76676 5.32839 6.1415 8.03219 4.04513 8.90322 7.27192 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 5.30224 7.76676 5.32839 6.77938 4.99891 6.1415 8.03219 4.04513 7.27192 8.90322 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 5.30224 6.77938 4.99891 7.76676 5.32839 6.1415 6.9899 7.09907 9.2872 4.61451 numMergedOcc 0
53 mol 259 unq 1 iso 1 dist 5.30224 7.76676 5.32839 6.77938 4.99891 6.1415 6.9899 7.09907 4.61451 9.2872 numMergedOcc 0
