0 mol 0 unq 0 iso 0 dist 9.72725 10.5877 5.88757 12.7627 4.22598 8.31596 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.72725 14.2251 8.66548 12.7627 4.22598 6.3267 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 5.8245 8.27962 9.71516 8.47421 3.91075 9.29529 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 5.8245 11.4878 9.81658 8.47421 3.91075 7.2199 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 5.8245 11.4878 9.81658 12.6047 8.25089 6.9513 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 5.8245 11.4878 9.81658 14.9473 12.0874 9.16116 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 5.8245 11.4878 9.81658 16.8226 14.6279 8.47109 numMergedOcc 0
7 mol 32 unq 0 iso 0 dist 7.26268 6.68431 8.74576 8.68559 5.57199 7.48825 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 7.18022 5.32981 7.79336 10.4347 10.3961 8.55901 numMergedOcc 0
9 mol 34 unq 1 iso 0 dist 7.18022 5.32981 7.79336 13.3092 9.85481 9.03412 numMergedOcc 0
10 mol 34 unq 2 iso 0 dist 6.24711 5.32981 7.08559 10.4347 7.52709 8.55901 numMergedOcc 0
11 mol 34 unq 3 iso 0 dist 6.24711 5.32981 7.08559 13.3092 10.3431 9.03412 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 5.94756 7.39653 5.81001 15.6951 11.9463 8.59109 numMergedOcc 0
13 mol 45 unq 1 iso 0 dist 5.94756 7.39653 5.81001 6.99408 4.51883 8.13782 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 8.66539 10.8078 7.03126 16.0571 11.0945 8.80108 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 5.38524 5.98837 7.03126 10.335 11.0945 8.80108 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 8.69057 4.55117 7.03126 6.40841 11.0945 8.80108 numMergedOcc 0
17 mol 72 unq 0 iso 0 dist 9.74228 6.00418 9.14817 8.624 9.88768 9.19459 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 9.74228 6.00418 9.14817 10.0983 12.6041 8.59747 numMergedOcc 0
19 mol 72 unq 2 iso 0 dist 7.12321 9.0131 9.14817 6.77912 9.88768 9.19459 numMergedOcc 0
20 mol 72 unq 3 iso 0 dist 7.12321 9.0131 9.14817 10.4676 12.6041 8.59747 numMergedOcc 0
21 mol 72 unq 4 iso 0 dist 6.21799 6.11922 9.14817 11.9814 9.88768 9.19459 numMergedOcc 0
22 mol 72 unq 5 iso 0 dist 6.21799 6.11922 9.14817 13.3943 12.6041 8.59747 numMergedOcc 0
23 mol 72 unq 6 iso 0 dist 5.03251 6.11922 9.76686 11.9814 12.9007 9.19459 numMergedOcc 0
24 mol 72 unq 7 iso 0 dist 5.03251 6.11922 9.76686 13.3943 15.1279 8.59747 numMergedOcc 0
25 mol 72 unq 8 iso 0 dist 9.56773 9.93049 9.76686 15.4914 12.9007 9.19459 numMergedOcc 0
26 mol 72 unq 9 iso 0 dist 9.56773 9.93049 9.76686 17.1463 15.1279 8.59747 numMergedOcc 0
27 mol 72 unq 10 iso 0 dist 7.66093 6.11922 9.437 11.9814 12.9235 9.19459 numMergedOcc 0
28 mol 72 unq 11 iso 0 dist 7.66093 6.11922 9.437 13.3943 13.879 8.59747 numMergedOcc 0
29 mol 72 unq 12 iso 0 dist 9.55118 7.11552 5.4605 7.321 6.74416 9.19459 numMergedOcc 0
30 mol 72 unq 13 iso 0 dist 9.55118 7.17489 6.7272 7.321 6.74416 8.59747 numMergedOcc 0
31 mol 72 unq 14 iso 0 dist 9.10345 7.17489 7.64009 7.321 5.63793 8.59747 numMergedOcc 0
32 mol 114 unq 0 iso 0 dist 5.7144 6.95201 5.51885 6.73814 4.81369 8.39249 numMergedOcc 0
33 mol 115 unq 0 iso 0 dist 6.24825 10.2377 7.65255 7.76729 5.78043 6.40036 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 6.39384 10.7942 8.0168 12.0409 6.04071 7.99631 numMergedOcc 0
35 mol 115 unq 2 iso 0 dist 6.39384 10.7942 8.0168 7.64585 5.65471 6.40036 numMergedOcc 0
36 mol 115 unq 3 iso 0 dist 9.42082 10.9739 8.0168 11.8557 6.04071 7.99631 numMergedOcc 0
37 mol 115 unq 4 iso 0 dist 9.42082 10.9739 8.0168 12.2309 5.65471 6.40036 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 9.10524 14.0644 5.73203 11.0162 5.58312 6.4218 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 5.35237 8.96357 6.57379 13.0127 9.61537 6.4218 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 9.00918 5.9915 5.73203 8.94837 5.58312 6.4218 numMergedOcc 0
41 mol 134 unq 3 iso 0 dist 7.99477 5.9915 6.57379 8.94837 9.61537 6.4218 numMergedOcc 0
42 mol 155 unq 0 iso 0 dist 8.97626 8.27726 5.36254 7.51198 4.48516 7.37901 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 8.08349 10.7113 5.73591 12.6391 5.93269 4.55996 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 9.78218 11.4252 5.73591 14.4344 5.93269 4.55996 numMergedOcc 0
45 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 5.50387 3.92979 8.75834 numMergedOcc 0
46 mol 225 unq 1 iso 0 dist 8.1945 10.7506 8.91356 17.6316 13.317 7.51827 numMergedOcc 0
47 mol 225 unq 2 iso 0 dist 8.1945 7.12954 9.59574 5.50387 3.92979 9.36396 numMergedOcc 0
48 mol 225 unq 3 iso 0 dist 6.50998 8.69249 8.91356 9.88956 3.92979 8.75834 numMergedOcc 0
49 mol 225 unq 4 iso 0 dist 6.50998 8.69249 8.91356 10.7328 13.317 7.51827 numMergedOcc 0
50 mol 225 unq 5 iso 0 dist 6.50998 14.2819 9.59574 9.88956 3.92979 9.36396 numMergedOcc 0
51 mol 233 unq 0 iso 0 dist 8.51625 8.96098 6.01775 16.9774 9.59241 9.2911 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 7.81215 5.56749 9.11572 9.5707 11.8229 8.49841 numMergedOcc 0
53 mol 234 unq 1 iso 0 dist 7.81215 12.1076 7.20293 9.5707 11.8229 9.6101 numMergedOcc 0
54 mol 234 unq 2 iso 0 dist 7.81215 12.1076 7.20293 10.475 6.45373 5.32183 numMergedOcc 0
55 mol 234 unq 3 iso 0 dist 5.64285 8.0608 9.11572 11.8897 11.8229 8.49841 numMergedOcc 0
56 mol 234 unq 4 iso 0 dist 5.64285 6.29366 7.20293 11.8897 11.8229 9.6101 numMergedOcc 0
57 mol 234 unq 5 iso 0 dist 5.64285 6.29366 7.20293 9.39181 6.45373 5.32183 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 9.12776 8.82861 9.84652 7.02475 13.037 6.65088 numMergedOcc 0
59 mol 238 unq 1 iso 0 dist 9.12776 8.82861 9.84652 7.67322 9.75095 6.5772 numMergedOcc 0
60 mol 238 unq 2 iso 0 dist 9.12776 8.82861 9.84652 13.5581 11.7709 8.70193 numMergedOcc 0
61 mol 238 unq 3 iso 0 dist 9.12776 8.82861 9.84652 7.19008 6.12722 6.17025 numMergedOcc 0
62 mol 238 unq 4 iso 0 dist 9.12776 8.82861 9.84652 11.3465 12.1711 9.0378 numMergedOcc 0
63 mol 238 unq 5 iso 0 dist 9.72188 15.5674 9.84652 17.436 13.037 6.65088 numMergedOcc 0
64 mol 238 unq 6 iso 0 dist 9.72188 15.5674 9.84652 12.1104 9.75095 6.5772 numMergedOcc 0
65 mol 238 unq 7 iso 0 dist 9.72188 15.5674 9.84652 10.7386 11.7709 8.70193 numMergedOcc 0
66 mol 238 unq 8 iso 0 dist 9.72188 15.5674 9.84652 15.0465 6.12722 6.17025 numMergedOcc 0
67 mol 238 unq 9 iso 0 dist 9.72188 15.5674 9.84652 21.1924 12.1711 9.0378 numMergedOcc 0
68 mol 238 unq 10 iso 0 dist 9.07475 10.0613 9.82327 9.10743 5.70572 9.0378 numMergedOcc 0
69 mol 238 unq 11 iso 0 dist 6.99888 5.54325 5.43613 9.10743 4.02449 6.17025 numMergedOcc 0
70 mol 238 unq 12 iso 0 dist 6.99888 10.0613 7.06768 9.10743 4.02449 9.0378 numMergedOcc 0
71 mol 238 unq 13 iso 0 dist 9.08509 5.17471 5.43613 9.38422 4.02449 6.17025 numMergedOcc 0
72 mol 238 unq 14 iso 0 dist 9.08509 5.03393 7.06768 9.38422 4.02449 9.0378 numMergedOcc 0
73 mol 272 unq 0 iso 0 dist 6.44147 6.64985 8.84523 10.597 10.2399 6.75716 numMergedOcc 0
74 mol 274 unq 0 iso 0 dist 6.4611 5.31116 6.66172 6.50589 5.70568 8.49866 numMergedOcc 0
