0 mol 24 unq 0 iso 0 dist 6.80849 4.98987 6.11056 13.9888 8.86116 10.4744 10.1696 8.38394 6.9756 6.44287 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.80849 4.98987 6.11056 10.1696 8.38394 6.9756 13.9888 8.86116 10.4744 6.44287 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.00307 8.65485 8.40051 7.95074 7.57578 13.466 10.3928 7.17969 14.4191 4.33106 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 6.00307 8.65485 8.40051 10.3928 7.17969 14.4191 7.95074 7.57578 13.466 4.33106 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 15.1595 8.80331 11.0096 8.14351 6.20293 11.8286 8.13395 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 8.47617 12.345 8.38387 8.14351 6.20293 11.8286 15.1595 8.80331 11.0096 8.13395 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.13476 10.5752 5.97635 13.1047 9.5589 10.7219 10.0565 6.83299 6.76462 5.08001 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 6.13476 10.5752 5.97635 10.0565 6.83299 6.76462 13.1047 9.5589 10.7219 5.08001 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.13476 10.5752 5.97635 13.1047 9.5589 10.7219 5.77448 8.10861 13.2619 16.3192 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 6.13476 10.5752 5.97635 5.77448 8.10861 13.2619 13.1047 9.5589 10.7219 16.3192 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 6.13476 10.5752 5.97635 10.0565 6.83299 6.76462 5.77448 8.10861 13.2619 14.2075 numMergedOcc 0
11 mol 54 unq 1 iso 1 dist 6.13476 10.5752 5.97635 5.77448 8.10861 13.2619 10.0565 6.83299 6.76462 14.2075 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 8.64872 10.8989 6.95595 10.4239 7.79912 12.7957 12.0967 8.56639 10.309 5.64643 numMergedOcc 0
13 mol 75 unq 0 iso 1 dist 8.64872 10.8989 6.95595 12.0967 8.56639 10.309 10.4239 7.79912 12.7957 5.64643 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 8.64872 10.8989 6.95595 10.4239 7.79912 12.7957 9.60759 8.59017 5.80162 10.4899 numMergedOcc 0
15 mol 75 unq 1 iso 1 dist 8.64872 10.8989 6.95595 9.60759 8.59017 5.80162 10.4239 7.79912 12.7957 10.4899 numMergedOcc 0
16 mol 75 unq 1 iso 0 dist 8.64872 10.8989 6.95595 12.0967 8.56639 10.309 9.60759 8.59017 5.80162 7.00674 numMergedOcc 0
17 mol 75 unq 1 iso 1 dist 8.64872 10.8989 6.95595 9.60759 8.59017 5.80162 12.0967 8.56639 10.309 7.00674 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 4.31067 9.91645 5.9747 9.04817 5.08437 4.75138 4.70157 6.48948 10.4417 9.51923 numMergedOcc 0
19 mol 98 unq 0 iso 1 dist 4.31067 9.91645 5.9747 4.70157 6.48948 10.4417 9.04817 5.08437 4.75138 9.51923 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 4.31067 9.91645 5.9747 9.04817 5.08437 4.75138 6.21302 6.10456 11.3628 8.40073 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 4.31067 9.91645 5.9747 6.21302 6.10456 11.3628 9.04817 5.08437 4.75138 8.40073 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 4.31067 9.91645 5.9747 4.70157 6.48948 10.4417 6.21302 6.10456 11.3628 9.42358 numMergedOcc 0
23 mol 98 unq 1 iso 1 dist 4.31067 9.91645 5.9747 6.21302 6.10456 11.3628 4.70157 6.48948 10.4417 9.42358 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 4.31067 7.54723 4.50572 9.04817 5.08437 6.88489 4.70157 6.48948 9.63267 9.51923 numMergedOcc 0
25 mol 98 unq 2 iso 1 dist 4.31067 7.54723 4.50572 4.70157 6.48948 9.63267 9.04817 5.08437 6.88489 9.51923 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 4.31067 7.54723 4.50572 9.04817 5.08437 6.88489 6.21302 6.10456 9.82583 8.40073 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 4.31067 7.54723 4.50572 6.21302 6.10456 9.82583 9.04817 5.08437 6.88489 8.40073 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 4.31067 7.54723 4.50572 4.70157 6.48948 9.63267 6.21302 6.10456 9.82583 9.42358 numMergedOcc 0
29 mol 98 unq 3 iso 1 dist 4.31067 7.54723 4.50572 6.21302 6.10456 9.82583 4.70157 6.48948 9.63267 9.42358 numMergedOcc 0
30 mol 120 unq 0 iso 0 dist 8.20009 11.9512 7.04864 10.7527 8.75408 4.5543 5.6257 6.44653 6.81949 5.23036 numMergedOcc 0
31 mol 120 unq 0 iso 1 dist 8.20009 11.9512 7.04864 5.6257 6.44653 6.81949 10.7527 8.75408 4.5543 5.23036 numMergedOcc 0
32 mol 120 unq 1 iso 0 dist 8.14799 10.1556 7.04864 9.8469 8.75408 4.5543 5.0256 6.44653 6.81949 5.23036 numMergedOcc 0
33 mol 120 unq 1 iso 1 dist 8.14799 10.1556 7.04864 5.0256 6.44653 6.81949 9.8469 8.75408 4.5543 5.23036 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 6.29975 7.49664 9.3894 4.90674 6.5107 4.84607 5.78974 9.52634 13.0836 9.56949 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 6.29975 7.49664 9.3894 5.78974 9.52634 13.0836 4.90674 6.5107 4.84607 9.56949 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 8.94909 6.45157 5.86531 8.76089 7.11802 6.26797 6.80087 8.00618 9.73435 8.18495 numMergedOcc 0
37 mol 133 unq 1 iso 1 dist 8.94909 6.45157 5.86531 6.80087 8.00618 9.73435 8.76089 7.11802 6.26797 8.18495 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 9.0847 11.6766 8.07256 14.8573 8.56324 10.4039 8.41711 6.70283 11.1874 7.65448 numMergedOcc 0
39 mol 152 unq 0 iso 1 dist 9.0847 11.6766 8.07256 8.41711 6.70283 11.1874 14.8573 8.56324 10.4039 7.65448 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 9.0847 11.6766 8.07256 14.8573 8.56324 10.4039 4.82496 7.16148 8.36099 10.6875 numMergedOcc 0
41 mol 152 unq 1 iso 1 dist 9.0847 11.6766 8.07256 4.82496 7.16148 8.36099 14.8573 8.56324 10.4039 10.6875 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 9.0847 11.6766 8.07256 8.41711 6.70283 11.1874 4.82496 7.16148 8.36099 5.49936 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 9.0847 11.6766 8.07256 4.82496 7.16148 8.36099 8.41711 6.70283 11.1874 5.49936 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 8.47457 10.5366 8.46129 5.15333 6.65832 6.31508 8.1404 6.60589 5.72088 6.77699 numMergedOcc 0
45 mol 224 unq 0 iso 1 dist 8.47457 10.5366 8.46129 8.1404 6.60589 5.72088 5.15333 6.65832 6.31508 6.77699 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 8.47457 10.5366 8.46129 5.15333 6.65832 6.31508 15.1783 9.16166 6.51315 11.328 numMergedOcc 0
47 mol 224 unq 1 iso 1 dist 8.47457 10.5366 8.46129 15.1783 9.16166 6.51315 5.15333 6.65832 6.31508 11.328 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 8.47457 10.5366 8.46129 8.1404 6.60589 5.72088 15.1783 9.16166 6.51315 8.49799 numMergedOcc 0
49 mol 224 unq 1 iso 1 dist 8.47457 10.5366 8.46129 15.1783 9.16166 6.51315 8.1404 6.60589 5.72088 8.49799 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 8.9413 16.6823 7.86368 12.4455 9.45496 12.0816 14.0876 6.7625 6.94762 7.82322 numMergedOcc 0
51 mol 234 unq 0 iso 1 dist 8.9413 16.6823 7.86368 14.0876 6.7625 6.94762 12.4455 9.45496 12.0816 7.82322 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 4.91961 5.55026 7.86368 11.5103 9.45496 12.0816 4.98993 6.7625 6.94762 7.82322 numMergedOcc 0
53 mol 234 unq 1 iso 1 dist 4.91961 5.55026 7.86368 4.98993 6.7625 6.94762 11.5103 9.45496 12.0816 7.82322 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 5.29682 6.00285 5.90645 5.48552 8.53687 4.62072 5.56656 8.13497 10.4985 10.582 numMergedOcc 0
55 mol 259 unq 0 iso 1 dist 5.29682 6.00285 5.90645 5.56656 8.13497 10.4985 5.48552 8.53687 4.62072 10.582 numMergedOcc 0
