0 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 8.69454 8.55451 13.2602 5.60154 8.47421 9.29529 5.66192 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 6.85412 8.27962 5.84314 5.8245 9.71516 5.60154 8.47421 9.29529 3.91075 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 8.69454 8.55451 12.6418 5.60154 8.47421 7.2199 5.66192 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 8.69454 8.55451 12.6418 4.61049 12.6047 6.9513 9.75978 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 8.57077 6.33889 11.4878 8.69454 8.55451 12.6418 6.64015 14.9473 9.16116 14.121 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 8.57077 6.33889 11.4878 8.69454 8.55451 12.6418 13.7377 16.8226 8.47109 16.1888 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 5.60154 8.47421 7.2199 3.91075 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 4.61049 12.6047 6.9513 8.25089 numMergedOcc 0
8 mol 9 unq 8 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 6.64015 14.9473 9.16116 12.0874 numMergedOcc 0
9 mol 9 unq 9 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 13.7377 16.8226 8.47109 14.6279 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 5.1274 9.33906 13.126 5.67689 6.34173 8.59109 6.00679 numMergedOcc 0
11 mol 45 unq 1 iso 0 dist 7.58835 9.20119 6.89191 5.1274 9.33906 13.126 16.2375 14.4997 8.13782 19.934 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 5.61579 5.38524 7.03126 6.75888 10.335 8.80108 11.0945 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 5.61579 8.69057 7.03126 6.75888 6.40841 8.80108 11.0945 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 6.62496 9.58673 10.2241 9.87158 9.22598 15.7229 6.47744 11.5023 7.01363 14.6599 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 6.35756 9.58673 7.05413 9.87158 8.96727 15.7229 6.47744 8.89374 7.01363 14.6599 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 6.35756 9.58673 7.05413 5.86526 8.01308 12.8612 6.47744 8.89374 7.01363 9.47022 numMergedOcc 0
17 mol 58 unq 5 iso 0 dist 6.64012 6.46761 5.24906 4.00553 9.08221 10.1478 8.74789 9.89984 6.96494 12.5395 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 6.64012 6.46761 5.24906 4.00553 9.08221 10.1478 6.61756 10.9283 7.01363 9.74222 numMergedOcc 0
19 mol 58 unq 7 iso 0 dist 6.64012 7.58407 5.11205 4.00553 9.08221 10.7327 14.7581 13.7148 8.80108 18.1063 numMergedOcc 0
20 mol 58 unq 8 iso 0 dist 6.64012 7.58407 5.11205 4.00553 9.08221 10.7327 8.74789 9.89984 6.50297 12.5395 numMergedOcc 0
21 mol 58 unq 9 iso 0 dist 9.4099 9.73139 5.24906 8.55984 9.08221 10.1478 7.02095 9.89984 6.96494 12.5395 numMergedOcc 0
22 mol 58 unq 10 iso 0 dist 9.4099 9.73139 5.24906 8.55984 9.08221 10.1478 8.94672 10.9283 7.01363 9.74222 numMergedOcc 0
23 mol 58 unq 11 iso 0 dist 9.4099 6.31428 5.11205 8.55984 9.08221 10.7327 10.3782 13.7148 8.80108 18.1063 numMergedOcc 0
24 mol 58 unq 12 iso 0 dist 9.4099 6.31428 5.11205 8.55984 9.08221 10.7327 7.02095 9.89984 6.50297 12.5395 numMergedOcc 0
25 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 5.69391 9.55118 5.4605 9.0131 7.321 9.19459 6.74416 numMergedOcc 0
26 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 13.4212 9.10345 10.8476 9.0131 7.321 9.19459 5.63793 numMergedOcc 0
27 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 7.11552 6.77912 9.19459 9.88768 numMergedOcc 0
28 mol 72 unq 3 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 7.17489 10.4676 8.59747 12.6041 numMergedOcc 0
29 mol 72 unq 4 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 7.11552 11.9814 9.19459 9.88768 numMergedOcc 0
30 mol 72 unq 5 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 7.17489 13.3943 8.59747 12.6041 numMergedOcc 0
31 mol 72 unq 6 iso 0 dist 9.78528 7.321 6.11922 9.67587 5.03251 9.76686 7.11552 11.9814 9.19459 12.9007 numMergedOcc 0
32 mol 72 unq 7 iso 0 dist 9.78528 7.321 6.11922 9.67587 5.03251 9.76686 7.17489 13.3943 8.59747 15.1279 numMergedOcc 0
33 mol 72 unq 8 iso 0 dist 9.78528 7.321 6.11922 7.07356 7.66093 9.437 7.11552 11.9814 9.19459 12.9235 numMergedOcc 0
34 mol 72 unq 9 iso 0 dist 9.78528 7.321 6.11922 7.07356 7.66093 9.437 7.17489 13.3943 8.59747 13.879 numMergedOcc 0
35 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 6.95773 6.24825 7.65255 10.7942 7.76729 6.40036 5.78043 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 6.63111 6.39384 8.0168 6.34759 12.0409 7.99631 6.04071 numMergedOcc 0
37 mol 115 unq 2 iso 0 dist 9.33865 7.76729 10.7942 6.63111 6.39384 8.0168 10.2377 7.64585 6.40036 5.65471 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 5.83991 7.76729 10.9739 4.48636 7.69765 10.1174 6.34759 11.8557 7.99631 9.00091 numMergedOcc 0
39 mol 115 unq 4 iso 0 dist 5.83991 7.76729 10.9739 4.48636 7.69765 10.1174 10.2377 12.2309 6.40036 14.211 numMergedOcc 0
40 mol 115 unq 5 iso 0 dist 5.83991 7.76729 10.9739 6.63111 9.42082 8.0168 6.34759 11.8557 7.99631 6.04071 numMergedOcc 0
41 mol 115 unq 6 iso 0 dist 5.83991 7.76729 10.9739 6.63111 9.42082 8.0168 10.2377 12.2309 6.40036 5.65471 numMergedOcc 0
42 mol 127 unq 0 iso 0 dist 9.30299 8.59981 14.085 12.8087 6.08673 17.7403 4.77464 9.81878 6.3244 12.2579 numMergedOcc 0
43 mol 133 unq 0 iso 0 dist 8.00618 7.92688 12.2037 15.0115 8.77023 16.243 11.8989 19.3117 9.94276 23.9247 numMergedOcc 0
44 mol 133 unq 1 iso 0 dist 8.00618 7.92688 12.2037 15.0115 8.77023 16.243 15.0734 20.5979 9.05357 23.0611 numMergedOcc 0
45 mol 133 unq 2 iso 0 dist 8.00618 7.92688 12.2037 15.0115 8.77023 16.243 9.58627 16.126 5.99299 21.7272 numMergedOcc 0
46 mol 155 unq 0 iso 0 dist 7.46303 9.17284 6.3437 9.16779 8.97626 13.5963 6.3845 9.14392 6.51096 12.0485 numMergedOcc 0
47 mol 155 unq 1 iso 0 dist 6.43582 7.36102 8.27726 4.91785 8.97626 5.36254 6.34186 7.51198 7.37901 4.48516 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 12.9532 9.76212 14.5897 8.25067 13.2702 8.20656 20.3687 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 12.9532 9.76212 12.3788 8.25067 13.2702 9.40622 20.3687 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 6.61986 8.19953 10.7113 5.13732 8.08349 5.73591 7.67202 12.6391 4.55996 5.93269 numMergedOcc 0
51 mol 224 unq 1 iso 0 dist 6.57273 6.87664 7.12232 7.05804 8.79428 10.8888 9.36098 10.0414 8.89778 16.0684 numMergedOcc 0
52 mol 224 unq 2 iso 0 dist 6.57273 6.87664 7.12232 7.05804 8.79428 10.8888 5.29877 6.65984 9.47554 10.9705 numMergedOcc 0
53 mol 224 unq 3 iso 0 dist 5.78342 6.87664 5.3621 7.05804 6.8692 10.8888 9.36098 12.7072 8.89778 16.0684 numMergedOcc 0
54 mol 224 unq 4 iso 0 dist 5.78342 6.87664 5.3621 7.05804 6.8692 10.8888 5.29877 10.667 9.47554 10.9705 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 12.1252 9.38422 6.17025 4.02449 numMergedOcc 0
56 mol 238 unq 1 iso 0 dist 7.31233 7.02475 11.2717 11.0772 9.08509 10.529 8.82861 9.38422 6.65088 4.02449 numMergedOcc 0
57 mol 238 unq 2 iso 0 dist 7.31233 7.67322 12.6986 11.0772 9.08509 9.99105 8.82861 9.38422 6.5772 4.02449 numMergedOcc 0
58 mol 238 unq 3 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 8.82861 9.38422 6.17025 4.02449 numMergedOcc 0
59 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 5.12237 6.44147 8.84523 5.7074 10.597 6.75716 10.2399 numMergedOcc 0
