0 mol 18 unq 0 iso 0 dist 7.37356 4.84965 8.51213 7.426 9.51761 11.0081 7.53082 7.3094 11.3758 9.70492 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 7.37356 4.84965 8.51213 7.53082 7.3094 11.3758 7.426 9.51761 11.0081 9.70492 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 14.2406 7.57578 7.95074 15.6642 7.17969 10.3928 4.33106 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 8.94828 7.11194 6.00307 15.6642 7.17969 10.3928 14.2406 7.57578 7.95074 4.33106 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 5.36895 9.95794 7.07587 5.07641 7.99312 11.8001 8.54745 8.2183 9.78914 5.36342 numMergedOcc 0
5 mol 41 unq 0 iso 1 dist 5.36895 9.95794 7.07587 8.54745 8.2183 9.78914 5.07641 7.99312 11.8001 5.36342 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.06275 14.8755 8.47617 5.5249 8.80331 15.1595 10.4413 6.20293 8.14351 8.13395 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 8.06275 14.8755 8.47617 10.4413 6.20293 8.14351 5.5249 8.80331 15.1595 8.13395 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.90024 5.00932 8.47617 13.9129 8.80331 15.1595 5.84171 6.20293 8.14351 8.13395 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 8.90024 5.00932 8.47617 5.84171 6.20293 8.14351 13.9129 8.80331 15.1595 8.13395 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 6.86713 11.5826 8.13273 10.3731 9.03572 6.56354 7.4052 8.83255 6.68919 6.59319 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 6.86713 11.5826 8.13273 7.4052 8.83255 6.68919 10.3731 9.03572 6.56354 6.59319 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 6.86713 11.5826 8.13273 10.3731 9.03572 6.56354 9.70895 8.03644 14.1434 16.6055 numMergedOcc 0
13 mol 95 unq 1 iso 1 dist 6.86713 11.5826 8.13273 9.70895 8.03644 14.1434 10.3731 9.03572 6.56354 16.6055 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 6.86713 11.5826 8.13273 7.4052 8.83255 6.68919 9.70895 8.03644 14.1434 13.8105 numMergedOcc 0
15 mol 95 unq 1 iso 1 dist 6.86713 11.5826 8.13273 9.70895 8.03644 14.1434 7.4052 8.83255 6.68919 13.8105 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 12.3158 5.08437 9.04817 15.1765 6.48948 4.70157 9.51923 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 9.83528 10.7274 4.31067 15.1765 6.48948 4.70157 12.3158 5.08437 9.04817 9.51923 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 12.3158 5.08437 9.04817 8.06684 6.10456 6.21302 8.40073 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 9.83528 10.7274 4.31067 8.06684 6.10456 6.21302 12.3158 5.08437 9.04817 8.40073 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 15.1765 6.48948 4.70157 8.06684 6.10456 6.21302 9.42358 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 9.83528 10.7274 4.31067 8.06684 6.10456 6.21302 15.1765 6.48948 4.70157 9.42358 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 7.54969 5.76482 4.31067 11.7493 5.08437 9.04817 10.3366 6.48948 4.70157 9.51923 numMergedOcc 0
23 mol 98 unq 2 iso 1 dist 7.54969 5.76482 4.31067 10.3366 6.48948 4.70157 11.7493 5.08437 9.04817 9.51923 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 11.7493 5.08437 9.04817 5.15322 6.10456 6.21302 8.40073 numMergedOcc 0
25 mol 98 unq 3 iso 1 dist 7.54969 5.76482 4.31067 5.15322 6.10456 6.21302 11.7493 5.08437 9.04817 8.40073 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 10.3366 6.48948 4.70157 5.15322 6.10456 6.21302 9.42358 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 7.54969 5.76482 4.31067 5.15322 6.10456 6.21302 10.3366 6.48948 4.70157 9.42358 numMergedOcc 0
28 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 7.75534 8.75408 10.7527 5.61914 6.44653 5.6257 5.23036 numMergedOcc 0
29 mol 120 unq 0 iso 1 dist 5.06555 7.08572 8.20009 5.61914 6.44653 5.6257 7.75534 8.75408 10.7527 5.23036 numMergedOcc 0
30 mol 120 unq 1 iso 0 dist 5.06555 9.04066 8.14799 7.75534 8.75408 9.8469 5.61914 6.44653 5.0256 5.23036 numMergedOcc 0
31 mol 120 unq 1 iso 1 dist 5.06555 9.04066 8.14799 5.61914 6.44653 5.0256 7.75534 8.75408 9.8469 5.23036 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 9.94179 7.03937 6.29975 6.75154 6.5107 4.90674 6.70853 9.52634 5.78974 9.56949 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 9.94179 7.03937 6.29975 6.70853 9.52634 5.78974 6.75154 6.5107 4.90674 9.56949 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 5.65129 8.56324 14.8573 10.5295 6.70283 8.41711 7.65448 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.34839 14.9554 9.0847 10.5295 6.70283 8.41711 5.65129 8.56324 14.8573 7.65448 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.34839 14.9554 9.0847 5.65129 8.56324 14.8573 10.7929 7.16148 4.82496 10.6875 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 8.34839 14.9554 9.0847 10.7929 7.16148 4.82496 5.65129 8.56324 14.8573 10.6875 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 8.34839 14.9554 9.0847 10.5295 6.70283 8.41711 10.7929 7.16148 4.82496 5.49936 numMergedOcc 0
39 mol 152 unq 1 iso 1 dist 8.34839 14.9554 9.0847 10.7929 7.16148 4.82496 10.5295 6.70283 8.41711 5.49936 numMergedOcc 0
40 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 14.4072 6.69288 6.96904 13.0519 6.43573 7.57303 5.34677 numMergedOcc 0
41 mol 178 unq 0 iso 1 dist 8.04723 11.2444 7.14849 13.0519 6.43573 7.57303 14.4072 6.69288 6.96904 5.34677 numMergedOcc 0
42 mol 178 unq 1 iso 0 dist 8.04723 11.2444 7.14849 14.4072 6.69288 6.96904 10.5681 7.17202 14.0459 11.7381 numMergedOcc 0
43 mol 178 unq 1 iso 1 dist 8.04723 11.2444 7.14849 10.5681 7.17202 14.0459 14.4072 6.69288 6.96904 11.7381 numMergedOcc 0
44 mol 178 unq 2 iso 0 dist 8.04723 11.2444 7.14849 14.4072 6.69288 6.96904 9.1499 8.81551 14.3001 14.0703 numMergedOcc 0
45 mol 178 unq 2 iso 1 dist 8.04723 11.2444 7.14849 9.1499 8.81551 14.3001 14.4072 6.69288 6.96904 14.0703 numMergedOcc 0
46 mol 178 unq 1 iso 0 dist 8.04723 11.2444 7.14849 13.0519 6.43573 7.57303 10.5681 7.17202 14.0459 9.89739 numMergedOcc 0
47 mol 178 unq 1 iso 1 dist 8.04723 11.2444 7.14849 10.5681 7.17202 14.0459 13.0519 6.43573 7.57303 9.89739 numMergedOcc 0
48 mol 178 unq 2 iso 0 dist 8.04723 11.2444 7.14849 13.0519 6.43573 7.57303 9.1499 8.81551 14.3001 10.5529 numMergedOcc 0
49 mol 178 unq 2 iso 1 dist 8.04723 11.2444 7.14849 9.1499 8.81551 14.3001 13.0519 6.43573 7.57303 10.5529 numMergedOcc 0
50 mol 178 unq 2 iso 0 dist 8.04723 11.2444 7.14849 10.5681 7.17202 14.0459 9.1499 8.81551 14.3001 5.18005 numMergedOcc 0
51 mol 178 unq 2 iso 1 dist 8.04723 11.2444 7.14849 9.1499 8.81551 14.3001 10.5681 7.17202 14.0459 5.18005 numMergedOcc 0
52 mol 178 unq 3 iso 0 dist 8.04723 12.3996 8.63718 14.4072 6.69288 11.5509 13.0519 6.43573 7.31401 5.34677 numMergedOcc 0
53 mol 178 unq 3 iso 1 dist 8.04723 12.3996 8.63718 13.0519 6.43573 7.31401 14.4072 6.69288 11.5509 5.34677 numMergedOcc 0
54 mol 178 unq 4 iso 0 dist 8.04723 12.3996 8.63718 14.4072 6.69288 11.5509 10.5681 7.17202 5.91018 11.7381 numMergedOcc 0
55 mol 178 unq 4 iso 1 dist 8.04723 12.3996 8.63718 10.5681 7.17202 5.91018 14.4072 6.69288 11.5509 11.7381 numMergedOcc 0
56 mol 178 unq 5 iso 0 dist 8.04723 12.3996 8.63718 14.4072 6.69288 11.5509 9.1499 8.81551 4.92895 14.0703 numMergedOcc 0
57 mol 178 unq 5 iso 1 dist 8.04723 12.3996 8.63718 9.1499 8.81551 4.92895 14.4072 6.69288 11.5509 14.0703 numMergedOcc 0
58 mol 178 unq 4 iso 0 dist 8.04723 12.3996 8.63718 13.0519 6.43573 7.31401 10.5681 7.17202 5.91018 9.89739 numMergedOcc 0
59 mol 178 unq 4 iso 1 dist 8.04723 12.3996 8.63718 10.5681 7.17202 5.91018 13.0519 6.43573 7.31401 9.89739 numMergedOcc 0
60 mol 178 unq 5 iso 0 dist 8.04723 12.3996 8.63718 13.0519 6.43573 7.31401 9.1499 8.81551 4.92895 10.5529 numMergedOcc 0
61 mol 178 unq 5 iso 1 dist 8.04723 12.3996 8.63718 9.1499 8.81551 4.92895 13.0519 6.43573 7.31401 10.5529 numMergedOcc 0
62 mol 178 unq 5 iso 0 dist 8.04723 12.3996 8.63718 10.5681 7.17202 5.91018 9.1499 8.81551 4.92895 5.18005 numMergedOcc 0
63 mol 178 unq 5 iso 1 dist 8.04723 12.3996 8.63718 9.1499 8.81551 4.92895 10.5681 7.17202 5.91018 5.18005 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 8.97461 5.81253 5.99187 10.4685 6.22714 5.74685 11.6506 7.31233 5.87189 5.34096 numMergedOcc 0
65 mol 238 unq 0 iso 1 dist 8.97461 5.81253 5.99187 11.6506 7.31233 5.87189 10.4685 6.22714 5.74685 5.34096 numMergedOcc 0
66 mol 248 unq 0 iso 0 dist 7.40475 11.4636 9.5107 7.63032 7.69895 11.8955 6.42334 7.21521 6.97887 5.55137 numMergedOcc 0
67 mol 248 unq 0 iso 1 dist 7.40475 11.4636 9.5107 6.42334 7.21521 6.97887 7.63032 7.69895 11.8955 5.55137 numMergedOcc 0
68 mol 248 unq 1 iso 0 dist 7.40475 11.4636 9.5107 7.63032 7.69895 11.8955 6.86606 8.2965 5.78576 10.8081 numMergedOcc 0
69 mol 248 unq 1 iso 1 dist 7.40475 11.4636 9.5107 6.86606 8.2965 5.78576 7.63032 7.69895 11.8955 10.8081 numMergedOcc 0
70 mol 248 unq 1 iso 0 dist 7.40475 11.4636 9.5107 6.42334 7.21521 6.97887 6.86606 8.2965 5.78576 5.86196 numMergedOcc 0
71 mol 248 unq 1 iso 1 dist 7.40475 11.4636 9.5107 6.86606 8.2965 5.78576 6.42334 7.21521 6.97887 5.86196 numMergedOcc 0
72 mol 261 unq 0 iso 0 dist 9.80409 14.5584 9.45818 4.63237 9.14619 10.6944 6.39263 8.45658 13.2478 7.00201 numMergedOcc 0
73 mol 261 unq 0 iso 1 dist 9.80409 14.5584 9.45818 6.39263 8.45658 13.2478 4.63237 9.14619 10.6944 7.00201 numMergedOcc 0
