0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 11.1504 7.73435 10.5521 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 4.36042 8.26708 7.10269 5.71995 7.15595 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 5.65716 6.44928 6.09918 11.1504 7.73435 7.4817 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 5.65716 6.44928 6.09918 7.10269 5.71995 7.63941 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 6.49896 5.55437 11.0722 numMergedOcc 0
5 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 10.6435 9.10587 10.9884 numMergedOcc 0
6 mol 13 unq 1 iso 0 dist 5.04036 4.17261 6.26071 10.6435 9.10587 7.39275 numMergedOcc 0
7 mol 13 unq 2 iso 0 dist 5.04036 6.68749 8.43325 10.6435 9.10587 7.82977 numMergedOcc 0
8 mol 13 unq 3 iso 0 dist 9.44958 11.3605 5.78148 12.1708 9.10587 10.9884 numMergedOcc 0
9 mol 13 unq 4 iso 0 dist 9.44958 13.8587 6.26071 12.1708 9.10587 7.39275 numMergedOcc 0
10 mol 13 unq 5 iso 0 dist 9.44958 16.4369 8.43325 12.1708 9.10587 7.82977 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 12.8473 9.40479 9.48345 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 4.36056 9.58012 14.4162 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 8.70141 5.80023 9.24958 12.8473 9.40479 13.1456 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 8.70141 5.80023 9.24958 4.36056 9.58012 10.0655 numMergedOcc 0
15 mol 28 unq 0 iso 0 dist 9.00593 9.68942 7.28416 8.01073 9.72965 4.74049 numMergedOcc 0
16 mol 28 unq 1 iso 0 dist 9.00593 9.68942 7.28416 8.57321 5.63315 10.2179 numMergedOcc 0
17 mol 28 unq 2 iso 0 dist 9.00593 9.68942 7.28416 11.0203 9.8465 7.01194 numMergedOcc 0
18 mol 53 unq 0 iso 0 dist 9.23241 13.8028 7.09169 5.78143 4.75776 8.19773 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 6.53468 14.2026 8.03303 12.2874 8.58543 8.92736 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 5.90954 9.27925 8.03303 7.81776 8.58543 8.92736 numMergedOcc 0
21 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 8.02579 5.51624 11.6865 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 12.3147 7.8674 12.2598 numMergedOcc 0
23 mol 93 unq 2 iso 0 dist 8.42713 15.232 9.12858 8.02579 5.51624 7.64463 numMergedOcc 0
24 mol 93 unq 3 iso 0 dist 8.42713 15.232 9.12858 12.3147 7.8674 14.8533 numMergedOcc 0
25 mol 93 unq 4 iso 0 dist 8.42713 12.5871 9.4523 8.02579 5.51624 8.29171 numMergedOcc 0
26 mol 93 unq 5 iso 0 dist 8.42713 12.5871 9.4523 12.3147 7.8674 12.7936 numMergedOcc 0
27 mol 93 unq 6 iso 0 dist 8.21032 6.25741 9.81831 12.1011 5.51624 11.6865 numMergedOcc 0
28 mol 93 unq 7 iso 0 dist 8.21032 6.25741 9.81831 9.97789 7.8674 12.2598 numMergedOcc 0
29 mol 93 unq 8 iso 0 dist 8.21032 10.0172 9.12858 12.1011 5.51624 7.64463 numMergedOcc 0
30 mol 93 unq 9 iso 0 dist 8.21032 10.0172 9.12858 9.97789 7.8674 14.8533 numMergedOcc 0
31 mol 93 unq 10 iso 0 dist 8.21032 13.6269 9.4523 12.1011 5.51624 8.29171 numMergedOcc 0
32 mol 93 unq 11 iso 0 dist 8.21032 13.6269 9.4523 9.97789 7.8674 12.7936 numMergedOcc 0
33 mol 112 unq 0 iso 0 dist 7.98999 6.68714 7.23962 13.0525 9.74569 6.89221 numMergedOcc 0
34 mol 112 unq 1 iso 0 dist 7.98999 10.8795 9.00067 13.0525 9.74569 5.52645 numMergedOcc 0
35 mol 112 unq 2 iso 0 dist 7.98999 13.2606 9.89499 13.0525 9.74569 9.88449 numMergedOcc 0
36 mol 112 unq 3 iso 0 dist 7.98999 6.71889 7.30204 13.0525 9.74569 9.96887 numMergedOcc 0
37 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 6.96543 9.23528 9.02993 numMergedOcc 0
38 mol 147 unq 1 iso 0 dist 6.4752 10.5583 6.28351 6.96543 9.23528 14.4247 numMergedOcc 0
39 mol 162 unq 0 iso 0 dist 8.48559 6.46702 6.20182 5.61836 8.53374 6.69868 numMergedOcc 0
40 mol 163 unq 0 iso 0 dist 5.80513 4.12904 8.38738 3.64474 7.3546 6.94217 numMergedOcc 0
41 mol 171 unq 0 iso 0 dist 6.69054 5.58953 9.11712 9.6968 9.75627 8.26419 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 9.08628 4.358 8.0154 14.8387 7.32419 12.3408 numMergedOcc 0
43 mol 175 unq 1 iso 0 dist 9.08628 4.358 8.0154 11.9554 8.31961 8.68081 numMergedOcc 0
44 mol 175 unq 2 iso 0 dist 8.35581 9.63193 8.0154 13.6171 7.32419 12.3408 numMergedOcc 0
45 mol 175 unq 3 iso 0 dist 8.35581 9.63193 8.0154 13.6238 8.31961 8.68081 numMergedOcc 0
46 mol 175 unq 4 iso 0 dist 6.72569 8.97821 8.0154 10.2269 7.32419 12.3408 numMergedOcc 0
47 mol 175 unq 5 iso 0 dist 6.72569 8.97821 8.0154 10.4606 8.31961 8.68081 numMergedOcc 0
48 mol 175 unq 6 iso 0 dist 8.4673 4.27736 5.4969 6.61278 7.32419 4.24624 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 11.4288 5.52678 6.66155 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 15.4624 9.81666 5.4499 numMergedOcc 0
51 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 11.4288 5.52678 6.12973 numMergedOcc 0
52 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 15.4624 9.81666 11.0239 numMergedOcc 0
53 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 11.4288 5.52678 13.0333 numMergedOcc 0
54 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 15.4624 9.81666 18.6469 numMergedOcc 0
55 mol 194 unq 6 iso 0 dist 7.47107 4.57265 8.2654 11.4288 5.52678 10.1796 numMergedOcc 0
56 mol 194 unq 7 iso 0 dist 7.47107 4.57265 8.2654 15.4624 9.81666 13.5457 numMergedOcc 0
57 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 6.2347 9.06334 9.46742 numMergedOcc 0
58 mol 218 unq 1 iso 0 dist 9.6309 10.8948 6.29511 6.2347 9.06334 11.438 numMergedOcc 0
59 mol 218 unq 2 iso 0 dist 9.86462 4.29962 8.0751 5.92515 8.22792 7.85475 numMergedOcc 0
60 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 7.01029 6.53728 11.5135 numMergedOcc 0
61 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 9.41039 9.56257 10.5813 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 8.12518 7.2593 5.4694 9.41039 9.56257 7.22396 numMergedOcc 0
63 mol 235 unq 0 iso 0 dist 9.77502 13.1002 6.39158 14.9983 9.81305 5.72331 numMergedOcc 0
64 mol 235 unq 1 iso 0 dist 9.77502 13.1002 6.39158 9.81171 6.89118 8.33772 numMergedOcc 0
65 mol 235 unq 2 iso 0 dist 9.77502 6.64857 7.75722 14.9983 9.81305 12.6437 numMergedOcc 0
66 mol 235 unq 3 iso 0 dist 9.77502 6.64857 7.75722 9.81171 6.89118 5.70265 numMergedOcc 0
67 mol 237 unq 0 iso 0 dist 9.74081 4.37008 7.42587 12.7987 9.84466 13.1083 numMergedOcc 0
68 mol 237 unq 1 iso 0 dist 9.74081 4.37008 7.42587 5.78318 6.16557 6.23145 numMergedOcc 0
69 mol 237 unq 2 iso 0 dist 9.74081 4.37008 7.42587 10.217 5.4813 7.11441 numMergedOcc 0
70 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 10.128 9.53915 10.6074 numMergedOcc 0
71 mol 240 unq 1 iso 0 dist 8.44671 13.1893 8.44909 10.128 9.53915 9.23135 numMergedOcc 0
72 mol 251 unq 0 iso 0 dist 8.38382 8.64172 8.01198 5.12873 8.53757 6.6269 numMergedOcc 0
73 mol 258 unq 0 iso 0 dist 8.15795 12.227 9.53063 4.88527 6.47194 7.42673 numMergedOcc 0
74 mol 258 unq 1 iso 0 dist 8.78354 11.5659 6.70815 6.73942 6.47194 6.6525 numMergedOcc 0
75 mol 258 unq 2 iso 0 dist 8.78354 11.716 7.99477 6.73942 6.47194 5.27959 numMergedOcc 0
76 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 5.7394 5.74568 6.84156 numMergedOcc 0
77 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 5.7394 5.74568 9.37297 numMergedOcc 0
78 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 6.63115 5.74568 6.84156 numMergedOcc 0
79 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 6.63115 5.74568 9.37297 numMergedOcc 0
80 mol 294 unq 0 iso 0 dist 9.2542 11.198 7.91611 12.0758 7.41079 6.21267 numMergedOcc 0
