0 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 8.55451 8.69454 5.66192 8.27962 6.85412 9.29529 13.2602 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 8.55451 8.69454 5.66192 11.4878 6.33889 7.2199 12.6418 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.57077 8.47421 5.60154 5.8245 5.84314 3.91075 8.27962 6.85412 9.29529 9.71516 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.57077 8.47421 5.60154 5.8245 5.84314 3.91075 11.4878 6.33889 7.2199 9.81658 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.2846 6.34173 4.71384 9.33906 6.42339 6.00679 6.89191 12.1257 8.59109 13.126 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 6.89191 9.20119 8.59109 13.126 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 4.55117 8.26899 8.80108 7.03126 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 5.64209 11.3177 6.50297 13.3982 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 12.7331 12.4575 6.96494 20.5213 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 7.05413 9.58673 7.01363 15.7229 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 12.7331 12.4575 6.96494 16.0898 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 7.05413 9.58673 7.01363 12.8612 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 9.67592 8.68586 5.3948 9.86334 5.16015 8.84224 5.35421 11.9355 8.4517 13.6664 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 7.12321 4.27726 9.88768 9.0131 13.3133 9.19459 9.14817 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 9.0131 7.321 9.19459 9.14817 numMergedOcc 0
15 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 7.11552 6.77912 9.19459 5.4605 numMergedOcc 0
16 mol 72 unq 3 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 7.17489 10.4676 8.59747 6.7272 numMergedOcc 0
17 mol 72 unq 4 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 7.11552 6.77912 9.19459 10.8476 numMergedOcc 0
18 mol 72 unq 5 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 7.17489 10.4676 8.59747 7.64009 numMergedOcc 0
19 mol 72 unq 6 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 7.11552 11.9814 9.19459 5.4605 numMergedOcc 0
20 mol 72 unq 7 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 7.17489 13.3943 8.59747 6.7272 numMergedOcc 0
21 mol 72 unq 8 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 7.11552 11.9814 9.19459 10.8476 numMergedOcc 0
22 mol 72 unq 9 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 7.17489 13.3943 8.59747 7.64009 numMergedOcc 0
23 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 7.80898 12.1193 7.15936 5.90098 9.15979 7.71582 11.1055 numMergedOcc 0
24 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 7.80898 12.1193 10.8763 5.90098 9.15979 6.65776 11.1055 numMergedOcc 0
25 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 6.39384 6.63111 5.65471 10.7942 7.76729 6.40036 8.0168 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 6.24825 6.95773 5.78043 6.34759 12.0409 7.99631 10.2461 numMergedOcc 0
27 mol 115 unq 2 iso 0 dist 9.33865 7.76729 10.7942 6.24825 6.95773 5.78043 10.2377 7.64585 6.40036 7.65255 numMergedOcc 0
28 mol 115 unq 3 iso 0 dist 5.83991 7.76729 10.9739 6.24825 6.01673 5.78043 6.34759 11.8557 7.99631 10.2461 numMergedOcc 0
29 mol 115 unq 4 iso 0 dist 5.83991 7.76729 10.9739 6.24825 6.01673 5.78043 10.2377 12.2309 6.40036 7.65255 numMergedOcc 0
30 mol 115 unq 5 iso 0 dist 6.11741 7.64585 10.8939 6.39384 6.07067 5.65471 10.7942 12.9821 6.40036 8.0168 numMergedOcc 0
31 mol 127 unq 0 iso 0 dist 9.30299 9.81878 4.77464 6.08673 12.8087 12.2579 14.085 8.59981 6.3244 17.7403 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 7.46303 9.14392 6.3845 8.97626 9.16779 12.0485 6.3437 9.17284 6.51096 13.5963 numMergedOcc 0
33 mol 155 unq 1 iso 0 dist 7.46303 9.14392 6.3845 8.97626 9.16779 12.0485 9.99927 13.2459 8.73171 14.7426 numMergedOcc 0
34 mol 155 unq 2 iso 0 dist 7.46303 7.51198 5.86939 8.97626 9.16779 4.48516 8.27726 12.1081 7.37901 5.36254 numMergedOcc 0
35 mol 155 unq 3 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 6.3437 12.2465 6.51096 13.5963 numMergedOcc 0
36 mol 155 unq 4 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 9.99927 15.1841 8.73171 14.7426 numMergedOcc 0
37 mol 155 unq 5 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 8.27726 7.36102 7.37901 5.36254 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 6.57273 6.65984 5.29877 8.79428 7.05804 10.9705 7.12232 6.87664 9.47554 10.8888 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 6.60589 6.65984 6.12232 8.79428 5.76843 10.9705 7.12232 10.8259 9.47554 10.8888 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 13.3557 12.3856 7.95168 11.5426 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 8.8709 12.3856 6.152 11.5426 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 8.8709 12.3856 7.95168 11.5426 numMergedOcc 0
43 mol 227 unq 3 iso 0 dist 7.09863 8.17891 9.13836 5.23634 5.83175 4.09934 13.3557 16.1617 7.95168 11.5426 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 5.56749 15.004 8.49841 9.11572 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 12.1076 17.6567 9.6101 7.20293 numMergedOcc 0
46 mol 234 unq 2 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 5.56749 10.8628 8.49841 9.11572 numMergedOcc 0
47 mol 234 unq 3 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 12.1076 12.6312 9.6101 7.20293 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 7.31233 7.02475 11.2717 9.12776 10.3162 13.037 8.82861 9.38422 6.65088 9.84652 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 7.31233 7.67322 12.6986 9.12776 10.3162 9.75095 8.82861 9.38422 6.5772 9.84652 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 7.31233 7.19008 5.17471 9.12776 10.3162 6.12722 8.82861 9.38422 6.17025 9.84652 numMergedOcc 0
