0 mol 0 unq 0 iso 0 dist 9.42137 4.59249 7.37981 11.6896 9.6994 12.7599 14.5258 7.15528 13.3337 7.19817 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.42137 4.59249 7.37981 14.5258 7.15528 13.3337 11.6896 9.6994 12.7599 7.19817 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 9.42137 12.6412 7.19621 11.6896 9.6994 9.95 14.5258 7.15528 6.83587 7.19817 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 9.42137 12.6412 7.19621 14.5258 7.15528 6.83587 11.6896 9.6994 9.95 7.19817 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.76968 5.98953 5.84479 4.2139 6.31718 5.35079 12.1754 7.63133 6.53177 10.8455 numMergedOcc 0
5 mol 16 unq 0 iso 1 dist 9.76968 5.98953 5.84479 12.1754 7.63133 6.53177 4.2139 6.31718 5.35079 10.8455 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 6.36377 6.55076 8.33883 4.78943 5.05803 5.38671 5.48395 6.31718 5.45161 6.92781 numMergedOcc 0
7 mol 16 unq 1 iso 1 dist 6.36377 6.55076 8.33883 5.48395 6.31718 5.45161 4.78943 5.05803 5.38671 6.92781 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.11056 13.7241 9.90845 10.4744 8.86116 9.59761 6.9756 8.38394 9.89489 6.44287 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 6.11056 13.7241 9.90845 6.9756 8.38394 9.89489 10.4744 8.86116 9.59761 6.44287 numMergedOcc 0
10 mol 38 unq 0 iso 0 dist 5.73067 5.47531 9.23576 5.79134 7.50293 7.35595 5.48241 9.91611 8.59794 5.79773 numMergedOcc 0
11 mol 38 unq 0 iso 1 dist 5.73067 5.47531 9.23576 5.48241 9.91611 8.59794 5.79134 7.50293 7.35595 5.79773 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 11.0096 8.80331 10.323 11.8286 6.20293 14.445 8.13395 numMergedOcc 0
13 mol 43 unq 0 iso 1 dist 8.38387 7.67926 9.74445 11.8286 6.20293 14.445 11.0096 8.80331 10.323 8.13395 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 5.97635 6.31564 6.59893 10.7219 9.5589 11.9881 6.76462 6.83299 10.3564 5.08001 numMergedOcc 0
15 mol 54 unq 0 iso 1 dist 5.97635 6.31564 6.59893 6.76462 6.83299 10.3564 10.7219 9.5589 11.9881 5.08001 numMergedOcc 0
16 mol 54 unq 1 iso 0 dist 5.97635 6.31564 6.59893 10.7219 9.5589 11.9881 13.2619 8.10861 12.4254 16.3192 numMergedOcc 0
17 mol 54 unq 1 iso 1 dist 5.97635 6.31564 6.59893 13.2619 8.10861 12.4254 10.7219 9.5589 11.9881 16.3192 numMergedOcc 0
18 mol 54 unq 1 iso 0 dist 5.97635 6.31564 6.59893 6.76462 6.83299 10.3564 13.2619 8.10861 12.4254 14.2075 numMergedOcc 0
19 mol 54 unq 1 iso 1 dist 5.97635 6.31564 6.59893 13.2619 8.10861 12.4254 6.76462 6.83299 10.3564 14.2075 numMergedOcc 0
20 mol 54 unq 2 iso 0 dist 5.97635 4.94741 5.59773 10.7219 9.5589 13.9079 6.76462 6.83299 10.4238 5.08001 numMergedOcc 0
21 mol 54 unq 2 iso 1 dist 5.97635 4.94741 5.59773 6.76462 6.83299 10.4238 10.7219 9.5589 13.9079 5.08001 numMergedOcc 0
22 mol 54 unq 3 iso 0 dist 5.97635 4.94741 5.59773 10.7219 9.5589 13.9079 13.2619 8.10861 10.1356 16.3192 numMergedOcc 0
23 mol 54 unq 3 iso 1 dist 5.97635 4.94741 5.59773 13.2619 8.10861 10.1356 10.7219 9.5589 13.9079 16.3192 numMergedOcc 0
24 mol 54 unq 3 iso 0 dist 5.97635 4.94741 5.59773 6.76462 6.83299 10.4238 13.2619 8.10861 10.1356 14.2075 numMergedOcc 0
25 mol 54 unq 3 iso 1 dist 5.97635 4.94741 5.59773 13.2619 8.10861 10.1356 6.76462 6.83299 10.4238 14.2075 numMergedOcc 0
26 mol 112 unq 0 iso 0 dist 7.15985 8.86411 6.85381 6.68714 9.60462 12.5148 6.71889 7.45389 6.38057 7.05226 numMergedOcc 0
27 mol 112 unq 0 iso 1 dist 7.15985 8.86411 6.85381 6.71889 7.45389 6.38057 6.68714 9.60462 12.5148 7.05226 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 6.90827 13.2842 9.85576 10.4485 7.90328 10.4589 5.27151 7.83136 14.2649 7.22206 numMergedOcc 0
29 mol 117 unq 0 iso 1 dist 6.90827 13.2842 9.85576 5.27151 7.83136 14.2649 10.4485 7.90328 10.4589 7.22206 numMergedOcc 0
30 mol 117 unq 1 iso 0 dist 6.90827 13.2842 9.85576 10.4485 7.90328 10.4589 4.45276 7.0603 9.53886 9.3584 numMergedOcc 0
31 mol 117 unq 1 iso 1 dist 6.90827 13.2842 9.85576 4.45276 7.0603 9.53886 10.4485 7.90328 10.4589 9.3584 numMergedOcc 0
32 mol 117 unq 1 iso 0 dist 6.90827 13.2842 9.85576 5.27151 7.83136 14.2649 4.45276 7.0603 9.53886 7.21564 numMergedOcc 0
33 mol 117 unq 1 iso 1 dist 6.90827 13.2842 9.85576 4.45276 7.0603 9.53886 5.27151 7.83136 14.2649 7.21564 numMergedOcc 0
34 mol 117 unq 2 iso 0 dist 8.90977 12.0106 9.85576 13.8755 7.90328 10.4589 10.6616 7.83136 14.2649 7.22206 numMergedOcc 0
35 mol 117 unq 2 iso 1 dist 8.90977 12.0106 9.85576 10.6616 7.83136 14.2649 13.8755 7.90328 10.4589 7.22206 numMergedOcc 0
36 mol 117 unq 3 iso 0 dist 8.90977 12.0106 9.85576 13.8755 7.90328 10.4589 4.98254 7.0603 9.53886 9.3584 numMergedOcc 0
37 mol 117 unq 3 iso 1 dist 8.90977 12.0106 9.85576 4.98254 7.0603 9.53886 13.8755 7.90328 10.4589 9.3584 numMergedOcc 0
38 mol 117 unq 3 iso 0 dist 8.90977 12.0106 9.85576 10.6616 7.83136 14.2649 4.98254 7.0603 9.53886 7.21564 numMergedOcc 0
39 mol 117 unq 3 iso 1 dist 8.90977 12.0106 9.85576 4.98254 7.0603 9.53886 10.6616 7.83136 14.2649 7.21564 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 10.4039 8.56324 9.66339 11.1874 6.70283 13.9994 7.65448 numMergedOcc 0
41 mol 152 unq 0 iso 1 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 10.4039 8.56324 9.66339 7.65448 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 10.4039 8.56324 9.66339 8.36099 7.16148 14.2552 10.6875 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 8.07256 8.50267 9.10619 8.36099 7.16148 14.2552 10.4039 8.56324 9.66339 10.6875 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 8.36099 7.16148 14.2552 5.49936 numMergedOcc 0
45 mol 152 unq 1 iso 1 dist 8.07256 8.50267 9.10619 8.36099 7.16148 14.2552 11.1874 6.70283 13.9994 5.49936 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 6.28065 9.65138 12.4611 11.2159 7.14453 11.832 9.10746 numMergedOcc 0
47 mol 214 unq 0 iso 1 dist 9.51764 15.3761 8.49704 11.2159 7.14453 11.832 6.28065 9.65138 12.4611 9.10746 numMergedOcc 0
48 mol 214 unq 1 iso 0 dist 9.51764 15.3761 8.49704 6.28065 9.65138 12.4611 6.53326 8.85478 10.644 4.40923 numMergedOcc 0
49 mol 214 unq 1 iso 1 dist 9.51764 15.3761 8.49704 6.53326 8.85478 10.644 6.28065 9.65138 12.4611 4.40923 numMergedOcc 0
50 mol 214 unq 1 iso 0 dist 9.51764 15.3761 8.49704 11.2159 7.14453 11.832 6.53326 8.85478 10.644 11.3796 numMergedOcc 0
51 mol 214 unq 1 iso 1 dist 9.51764 15.3761 8.49704 6.53326 8.85478 10.644 11.2159 7.14453 11.832 11.3796 numMergedOcc 0
52 mol 214 unq 2 iso 0 dist 5.36829 8.72971 8.49704 11.7583 9.65138 12.4611 4.98764 7.14453 11.832 9.10746 numMergedOcc 0
53 mol 214 unq 2 iso 1 dist 5.36829 8.72971 8.49704 4.98764 7.14453 11.832 11.7583 9.65138 12.4611 9.10746 numMergedOcc 0
54 mol 214 unq 3 iso 0 dist 5.36829 8.72971 8.49704 11.7583 9.65138 12.4611 12.3481 8.85478 10.644 4.40923 numMergedOcc 0
55 mol 214 unq 3 iso 1 dist 5.36829 8.72971 8.49704 12.3481 8.85478 10.644 11.7583 9.65138 12.4611 4.40923 numMergedOcc 0
56 mol 214 unq 3 iso 0 dist 5.36829 8.72971 8.49704 4.98764 7.14453 11.832 12.3481 8.85478 10.644 11.3796 numMergedOcc 0
57 mol 214 unq 3 iso 1 dist 5.36829 8.72971 8.49704 12.3481 8.85478 10.644 4.98764 7.14453 11.832 11.3796 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 8.39002 9.97999 9.33771 9.98893 8.95269 5.41021 5.72088 6.57273 4.91322 4.70378 numMergedOcc 0
59 mol 224 unq 0 iso 1 dist 8.39002 9.97999 9.33771 5.72088 6.57273 4.91322 9.98893 8.95269 5.41021 4.70378 numMergedOcc 0
60 mol 224 unq 1 iso 0 dist 8.39002 9.97999 9.33771 9.98893 8.95269 5.41021 6.51315 5.78342 12.979 11.5372 numMergedOcc 0
61 mol 224 unq 1 iso 1 dist 8.39002 9.97999 9.33771 6.51315 5.78342 12.979 9.98893 8.95269 5.41021 11.5372 numMergedOcc 0
62 mol 224 unq 1 iso 0 dist 8.39002 9.97999 9.33771 5.72088 6.57273 4.91322 6.51315 5.78342 12.979 8.49799 numMergedOcc 0
63 mol 224 unq 1 iso 1 dist 8.39002 9.97999 9.33771 6.51315 5.78342 12.979 5.72088 6.57273 4.91322 8.49799 numMergedOcc 0
64 mol 224 unq 2 iso 0 dist 8.46129 9.97999 7.39839 6.31508 6.65832 7.65225 5.72088 6.60589 4.91322 6.77699 numMergedOcc 0
65 mol 224 unq 2 iso 1 dist 8.46129 9.97999 7.39839 5.72088 6.60589 4.91322 6.31508 6.65832 7.65225 6.77699 numMergedOcc 0
66 mol 224 unq 3 iso 0 dist 8.46129 9.97999 7.39839 6.31508 6.65832 7.65225 6.51315 9.16166 12.979 11.328 numMergedOcc 0
67 mol 224 unq 3 iso 1 dist 8.46129 9.97999 7.39839 6.51315 9.16166 12.979 6.31508 6.65832 7.65225 11.328 numMergedOcc 0
68 mol 224 unq 3 iso 0 dist 8.46129 9.97999 7.39839 5.72088 6.60589 4.91322 6.51315 9.16166 12.979 8.49799 numMergedOcc 0
69 mol 224 unq 3 iso 1 dist 8.46129 9.97999 7.39839 6.51315 9.16166 12.979 5.72088 6.60589 4.91322 8.49799 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 7.46434 10.5363 5.00515 13.0285 8.41436 5.16023 13.9912 8.92474 10.2063 8.62358 numMergedOcc 0
71 mol 234 unq 0 iso 1 dist 7.46434 10.5363 5.00515 13.9912 8.92474 10.2063 13.0285 8.41436 5.16023 8.62358 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 7.50424 5.31797 5.00515 6.88707 8.41436 5.16023 8.96936 8.92474 10.2063 8.62358 numMergedOcc 0
73 mol 234 unq 1 iso 1 dist 7.50424 5.31797 5.00515 8.96936 8.92474 10.2063 6.88707 8.41436 5.16023 8.62358 numMergedOcc 0
74 mol 236 unq 0 iso 0 dist 9.05929 6.83211 8.77254 4.32403 8.04248 5.74377 4.38595 8.35971 10.054 7.43758 numMergedOcc 0
75 mol 236 unq 0 iso 1 dist 9.05929 6.83211 8.77254 4.38595 8.35971 10.054 4.32403 8.04248 5.74377 7.43758 numMergedOcc 0
76 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 9.07501 7.57994 6.6173 4.24014 6.18582 8.95486 5.01979 numMergedOcc 0
77 mol 249 unq 0 iso 1 dist 6.37672 11.3437 7.29898 4.24014 6.18582 8.95486 9.07501 7.57994 6.6173 5.01979 numMergedOcc 0
78 mol 249 unq 1 iso 0 dist 6.37672 13.0712 8.91685 9.07501 7.57994 5.25611 4.24014 6.18582 9.66184 5.01979 numMergedOcc 0
79 mol 249 unq 1 iso 1 dist 6.37672 13.0712 8.91685 4.24014 6.18582 9.66184 9.07501 7.57994 5.25611 5.01979 numMergedOcc 0
80 mol 249 unq 2 iso 0 dist 8.94023 11.2158 7.29898 9.53929 7.57994 6.6173 5.36989 6.18582 8.95486 5.01979 numMergedOcc 0
81 mol 249 unq 2 iso 1 dist 8.94023 11.2158 7.29898 5.36989 6.18582 8.95486 9.53929 7.57994 6.6173 5.01979 numMergedOcc 0
82 mol 249 unq 3 iso 0 dist 8.94023 13.8209 8.91685 9.53929 7.57994 5.25611 5.36989 6.18582 9.66184 5.01979 numMergedOcc 0
83 mol 249 unq 3 iso 1 dist 8.94023 13.8209 8.91685 5.36989 6.18582 9.66184 9.53929 7.57994 5.25611 5.01979 numMergedOcc 0
84 mol 258 unq 0 iso 0 dist 5.73834 3.95075 8.58088 6.48867 6.60405 10.221 7.52881 6.42289 9.22664 7.26417 numMergedOcc 0
85 mol 258 unq 0 iso 1 dist 5.73834 3.95075 8.58088 7.52881 6.42289 9.22664 6.48867 6.60405 10.221 7.26417 numMergedOcc 0
86 mol 259 unq 0 iso 0 dist 5.90645 6.13878 6.77279 4.62072 8.53687 7.55268 10.4985 8.13497 5.71237 10.582 numMergedOcc 0
87 mol 259 unq 0 iso 1 dist 5.90645 6.13878 6.77279 10.4985 8.13497 5.71237 4.62072 8.53687 7.55268 10.582 numMergedOcc 0
