0 mol 9 unq 0 iso 0 dist 8.47421 5.8245 3.91075 8.27962 9.29529 9.71516 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 5.8245 3.91075 11.4878 7.2199 9.81658 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.68559 7.26268 5.57199 6.68431 7.48825 8.74576 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.99408 5.94756 4.51883 7.39653 8.13782 5.81001 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 13.3401 16.5169 9.68228 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.02278 6.21799 5.5067 6.11922 13.4823 9.14817 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 9.02278 5.03251 4.01021 6.11922 13.4823 9.76686 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 9.02278 7.66093 6.40102 6.11922 13.4823 9.437 numMergedOcc 0
9 mol 72 unq 3 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 numMergedOcc 0
10 mol 72 unq 4 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 numMergedOcc 0
11 mol 72 unq 5 iso 0 dist 7.321 9.55118 6.74416 7.11552 9.19459 5.4605 numMergedOcc 0
12 mol 72 unq 6 iso 0 dist 7.321 9.55118 6.74416 12.3903 11.7653 6.1906 numMergedOcc 0
13 mol 72 unq 7 iso 0 dist 7.321 9.55118 6.74416 7.17489 8.59747 6.7272 numMergedOcc 0
14 mol 72 unq 8 iso 0 dist 7.321 9.10345 5.63793 7.17489 8.59747 7.64009 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 6.95201 8.39249 5.51885 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 10.2377 6.40036 7.65255 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 9.66954 6.39384 6.49835 10.7942 12.4065 8.0168 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 8.66155 9.42082 6.49835 10.9739 12.4065 8.0168 numMergedOcc 0
19 mol 115 unq 3 iso 0 dist 7.64585 6.39384 5.65471 10.7942 6.40036 8.0168 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 5.9915 6.4218 5.73203 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 8.94837 7.99477 9.61537 5.9915 6.4218 6.57379 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 12.8482 18.2998 7.29911 numMergedOcc 0
23 mol 155 unq 1 iso 0 dist 9.14392 8.97626 12.0485 8.27726 13.2154 5.36254 numMergedOcc 0
24 mol 155 unq 2 iso 0 dist 7.51198 8.97626 4.48516 12.8482 11.3251 7.29911 numMergedOcc 0
25 mol 155 unq 3 iso 0 dist 7.51198 8.97626 4.48516 8.27726 7.37901 5.36254 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 8.62646 7.20495 4.15547 6.36909 11.5173 9.1326 numMergedOcc 0
27 mol 167 unq 1 iso 0 dist 8.62646 7.02548 6.24722 6.36909 11.5173 7.30954 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 6.7991 12.2455 9.09234 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 6.7991 12.2455 6.76746 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 7.98142 9.55105 10.2172 6.7991 12.2455 8.92098 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 7.37327 6.64173 4.88823 6.7991 11.691 9.09234 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 7.37327 9.01624 14.8923 6.7991 11.691 6.76746 numMergedOcc 0
33 mol 181 unq 5 iso 0 dist 7.37327 9.55105 14.2334 6.7991 11.691 8.92098 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 6.97182 7.46481 11.357 6.67959 11.7443 8.70987 numMergedOcc 0
35 mol 214 unq 1 iso 0 dist 6.1175 7.46481 10.9581 6.67959 12.7646 8.70987 numMergedOcc 0
36 mol 219 unq 0 iso 0 dist 4.87541 4.33238 3.78261 4.74167 9.37299 7.30481 numMergedOcc 0
37 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 numMergedOcc 0
38 mol 225 unq 1 iso 0 dist 5.50387 8.1945 3.92979 7.12954 9.36396 9.59574 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 9.5707 7.81215 11.8229 15.015 13.7038 9.49229 numMergedOcc 0
41 mol 234 unq 2 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 numMergedOcc 0
42 mol 234 unq 3 iso 0 dist 7.85175 7.81215 10.5304 5.56749 10.0446 9.11572 numMergedOcc 0
43 mol 234 unq 4 iso 0 dist 7.85175 7.81215 10.5304 15.015 15.6839 9.49229 numMergedOcc 0
44 mol 234 unq 5 iso 0 dist 7.85175 7.81215 10.5304 12.1076 10.7048 7.20293 numMergedOcc 0
45 mol 234 unq 6 iso 0 dist 9.39181 5.64285 6.45373 8.0608 11.8534 9.11572 numMergedOcc 0
46 mol 234 unq 7 iso 0 dist 9.39181 5.64285 6.45373 5.34613 10.5718 9.49229 numMergedOcc 0
47 mol 234 unq 8 iso 0 dist 9.39181 5.64285 6.45373 6.29366 5.32183 7.20293 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 6.55759 9.12776 15.4844 8.82861 11.4385 9.84652 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 numMergedOcc 0
51 mol 238 unq 3 iso 0 dist 9.29858 9.72188 11.7938 15.5674 10.9442 9.84652 numMergedOcc 0
52 mol 238 unq 4 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 numMergedOcc 0
53 mol 248 unq 0 iso 0 dist 8.50864 9.05018 13.1523 6.48757 13.4404 5.0345 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 6.77938 8.03219 8.90322 5.31048 11.4462 8.84648 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 6.77938 6.9899 9.2872 5.31048 11.4462 6.23661 numMergedOcc 0
56 mol 259 unq 2 iso 0 dist 7.76676 8.03219 7.27192 5.31048 9.64797 8.84648 numMergedOcc 0
57 mol 259 unq 3 iso 0 dist 7.76676 6.9899 4.61451 5.31048 9.64797 6.23661 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 6.50589 6.4611 5.70568 5.31116 8.49866 6.66172 numMergedOcc 0
59 mol 292 unq 0 iso 0 dist 9.454 9.9182 8.68456 9.98079 15.6736 9.08193 numMergedOcc 0
60 mol 292 unq 1 iso 0 dist 9.454 9.9182 8.68456 18.0293 16.4201 8.73515 numMergedOcc 0
