0 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 11.3742 8.28642 7.65448 9.3543 6.92726 12.4535 9.84297 numMergedOcc 0
1 mol 152 unq 0 iso 1 dist 9.19078 11.3742 8.28642 7.17016 9.77552 7.65448 9.3543 6.92726 9.84297 12.4535 numMergedOcc 0
2 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 10.0248 7.24795 9.41955 10.2673 8.57801 6.89047 3.90244 numMergedOcc 0
3 mol 186 unq 0 iso 1 dist 4.97005 10.0248 7.24795 11.3961 9.56197 9.41955 10.2673 8.57801 3.90244 6.89047 numMergedOcc 0
4 mol 186 unq 1 iso 0 dist 4.97005 11.3961 9.56197 9.14781 8.64409 8.04815 10.2673 8.57801 6.89047 12.6058 numMergedOcc 0
5 mol 186 unq 1 iso 1 dist 4.97005 9.14781 8.64409 11.3961 9.56197 8.04815 10.2673 8.57801 12.6058 6.89047 numMergedOcc 0
6 mol 186 unq 2 iso 0 dist 4.97005 11.3961 9.56197 6.69897 7.60202 5.92513 10.2673 8.57801 6.89047 7.21555 numMergedOcc 0
7 mol 186 unq 2 iso 1 dist 4.97005 6.69897 7.60202 11.3961 9.56197 5.92513 10.2673 8.57801 7.21555 6.89047 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 4.97005 10.0248 7.24795 9.14781 8.64409 13.684 10.2673 8.57801 3.90244 12.6058 numMergedOcc 0
9 mol 186 unq 1 iso 1 dist 4.97005 9.14781 8.64409 10.0248 7.24795 13.684 10.2673 8.57801 12.6058 3.90244 numMergedOcc 0
10 mol 186 unq 2 iso 0 dist 4.97005 10.0248 7.24795 6.69897 7.60202 9.45987 10.2673 8.57801 3.90244 7.21555 numMergedOcc 0
11 mol 186 unq 2 iso 1 dist 4.97005 6.69897 7.60202 10.0248 7.24795 9.45987 10.2673 8.57801 7.21555 3.90244 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 4.97005 9.14781 8.64409 6.69897 7.60202 7.18269 10.2673 8.57801 12.6058 7.21555 numMergedOcc 0
13 mol 186 unq 2 iso 1 dist 4.97005 6.69897 7.60202 9.14781 8.64409 7.18269 10.2673 8.57801 7.21555 12.6058 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 15.3582 8.12346 8.0179 5.39223 5.53324 10.0756 10.2793 numMergedOcc 0
15 mol 194 unq 0 iso 1 dist 8.63008 15.3582 8.12346 13.445 6.26839 8.0179 5.39223 5.53324 10.2793 10.0756 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 15.3582 8.12346 8.0179 11.8568 6.72182 11.8031 9.09233 numMergedOcc 0
17 mol 194 unq 1 iso 1 dist 8.63008 15.3582 8.12346 13.445 6.26839 8.0179 11.8568 6.72182 9.09233 11.8031 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 8.63008 13.445 6.26839 10.977 8.83356 14.6506 5.39223 5.53324 10.0756 10.463 numMergedOcc 0
19 mol 194 unq 2 iso 1 dist 8.63008 10.977 8.83356 13.445 6.26839 14.6506 5.39223 5.53324 10.463 10.0756 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 8.63008 13.445 6.26839 10.977 8.83356 14.6506 11.8568 6.72182 11.8031 4.66791 numMergedOcc 0
21 mol 194 unq 3 iso 1 dist 8.63008 10.977 8.83356 13.445 6.26839 14.6506 11.8568 6.72182 4.66791 11.8031 numMergedOcc 0
22 mol 194 unq 4 iso 0 dist 8.63008 13.445 6.26839 16.6746 8.2654 8.48054 5.39223 5.53324 10.0756 12.8494 numMergedOcc 0
23 mol 194 unq 4 iso 1 dist 8.63008 16.6746 8.2654 13.445 6.26839 8.48054 5.39223 5.53324 12.8494 10.0756 numMergedOcc 0
24 mol 194 unq 5 iso 0 dist 8.63008 13.445 6.26839 16.6746 8.2654 8.48054 11.8568 6.72182 11.8031 7.73551 numMergedOcc 0
25 mol 194 unq 5 iso 1 dist 8.63008 16.6746 8.2654 13.445 6.26839 8.48054 11.8568 6.72182 7.73551 11.8031 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 10.977 8.83356 13.5632 5.39223 5.53324 10.2793 10.463 numMergedOcc 0
27 mol 194 unq 2 iso 1 dist 8.63008 10.977 8.83356 15.3582 8.12346 13.5632 5.39223 5.53324 10.463 10.2793 numMergedOcc 0
28 mol 194 unq 3 iso 0 dist 8.63008 15.3582 8.12346 10.977 8.83356 13.5632 11.8568 6.72182 9.09233 4.66791 numMergedOcc 0
29 mol 194 unq 3 iso 1 dist 8.63008 10.977 8.83356 15.3582 8.12346 13.5632 11.8568 6.72182 4.66791 9.09233 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 8.63008 15.3582 8.12346 16.6746 8.2654 6.26298 5.39223 5.53324 10.2793 12.8494 numMergedOcc 0
31 mol 194 unq 4 iso 1 dist 8.63008 16.6746 8.2654 15.3582 8.12346 6.26298 5.39223 5.53324 12.8494 10.2793 numMergedOcc 0
32 mol 194 unq 5 iso 0 dist 8.63008 15.3582 8.12346 16.6746 8.2654 6.26298 11.8568 6.72182 9.09233 7.73551 numMergedOcc 0
33 mol 194 unq 5 iso 1 dist 8.63008 16.6746 8.2654 15.3582 8.12346 6.26298 11.8568 6.72182 7.73551 9.09233 numMergedOcc 0
34 mol 194 unq 4 iso 0 dist 8.63008 10.977 8.83356 16.6746 8.2654 11.6097 5.39223 5.53324 10.463 12.8494 numMergedOcc 0
35 mol 194 unq 4 iso 1 dist 8.63008 16.6746 8.2654 10.977 8.83356 11.6097 5.39223 5.53324 12.8494 10.463 numMergedOcc 0
36 mol 194 unq 5 iso 0 dist 8.63008 10.977 8.83356 16.6746 8.2654 11.6097 11.8568 6.72182 4.66791 7.73551 numMergedOcc 0
37 mol 194 unq 5 iso 1 dist 8.63008 16.6746 8.2654 10.977 8.83356 11.6097 11.8568 6.72182 7.73551 4.66791 numMergedOcc 0
38 mol 195 unq 0 iso 0 dist 5.46768 7.00308 6.60567 5.34788 7.62942 10.7531 4.79025 6.34234 5.41635 6.04871 numMergedOcc 0
39 mol 195 unq 0 iso 1 dist 5.46768 5.34788 7.62942 7.00308 6.60567 10.7531 4.79025 6.34234 6.04871 5.41635 numMergedOcc 0
40 mol 195 unq 1 iso 0 dist 5.46768 7.00308 6.60567 5.34788 7.62942 10.7531 6.01032 7.87972 11.9954 8.04534 numMergedOcc 0
41 mol 195 unq 1 iso 1 dist 5.46768 5.34788 7.62942 7.00308 6.60567 10.7531 6.01032 7.87972 8.04534 11.9954 numMergedOcc 0
42 mol 207 unq 0 iso 0 dist 7.21449 6.32727 8.32218 11.0577 7.96797 11.0921 11.9587 8.78061 14.0642 4.56899 numMergedOcc 0
43 mol 207 unq 0 iso 1 dist 7.21449 11.0577 7.96797 6.32727 8.32218 11.0921 11.9587 8.78061 4.56899 14.0642 numMergedOcc 0
44 mol 207 unq 1 iso 0 dist 9.22778 7.53149 8.32218 15.6632 7.96797 11.0921 16.8541 8.78061 14.0642 4.56899 numMergedOcc 0
45 mol 207 unq 1 iso 1 dist 9.22778 15.6632 7.96797 7.53149 8.32218 11.0921 16.8541 8.78061 4.56899 14.0642 numMergedOcc 0
46 mol 222 unq 0 iso 0 dist 9.04499 15.0199 9.2581 8.88 9.62632 9.57159 12.9462 7.97027 9.01393 13.3586 numMergedOcc 0
47 mol 222 unq 0 iso 1 dist 9.04499 8.88 9.62632 15.0199 9.2581 9.57159 12.9462 7.97027 13.3586 9.01393 numMergedOcc 0
48 mol 222 unq 1 iso 0 dist 9.04499 15.0199 9.2581 8.88 9.62632 9.57159 11.0561 6.81955 6.25425 5.16212 numMergedOcc 0
49 mol 222 unq 1 iso 1 dist 9.04499 8.88 9.62632 15.0199 9.2581 9.57159 11.0561 6.81955 5.16212 6.25425 numMergedOcc 0
50 mol 222 unq 2 iso 0 dist 9.04499 15.0199 9.2581 8.88 9.62632 9.57159 9.50604 4.9876 5.64455 5.9478 numMergedOcc 0
51 mol 222 unq 2 iso 1 dist 9.04499 8.88 9.62632 15.0199 9.2581 9.57159 9.50604 4.9876 5.9478 5.64455 numMergedOcc 0
52 mol 222 unq 3 iso 0 dist 9.04499 15.0199 9.2581 5.68063 7.862 10.5806 12.9462 7.97027 9.01393 8.84507 numMergedOcc 0
53 mol 222 unq 3 iso 1 dist 9.04499 5.68063 7.862 15.0199 9.2581 10.5806 12.9462 7.97027 8.84507 9.01393 numMergedOcc 0
54 mol 222 unq 4 iso 0 dist 9.04499 15.0199 9.2581 5.68063 7.862 10.5806 11.0561 6.81955 6.25425 8.67203 numMergedOcc 0
55 mol 222 unq 4 iso 1 dist 9.04499 5.68063 7.862 15.0199 9.2581 10.5806 11.0561 6.81955 8.67203 6.25425 numMergedOcc 0
56 mol 222 unq 5 iso 0 dist 9.04499 15.0199 9.2581 5.68063 7.862 10.5806 9.50604 4.9876 5.64455 6.02502 numMergedOcc 0
57 mol 222 unq 5 iso 1 dist 9.04499 5.68063 7.862 15.0199 9.2581 10.5806 9.50604 4.9876 6.02502 5.64455 numMergedOcc 0
58 mol 222 unq 3 iso 0 dist 9.04499 8.88 9.62632 5.68063 7.862 6.9154 12.9462 7.97027 13.3586 8.84507 numMergedOcc 0
59 mol 222 unq 3 iso 1 dist 9.04499 5.68063 7.862 8.88 9.62632 6.9154 12.9462 7.97027 8.84507 13.3586 numMergedOcc 0
60 mol 222 unq 4 iso 0 dist 9.04499 8.88 9.62632 5.68063 7.862 6.9154 11.0561 6.81955 5.16212 8.67203 numMergedOcc 0
61 mol 222 unq 4 iso 1 dist 9.04499 5.68063 7.862 8.88 9.62632 6.9154 11.0561 6.81955 8.67203 5.16212 numMergedOcc 0
62 mol 222 unq 5 iso 0 dist 9.04499 8.88 9.62632 5.68063 7.862 6.9154 9.50604 4.9876 5.9478 6.02502 numMergedOcc 0
63 mol 222 unq 5 iso 1 dist 9.04499 5.68063 7.862 8.88 9.62632 6.9154 9.50604 4.9876 6.02502 5.9478 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 10.8811 5.4694 5.22356 13.5696 5.28771 4.1511 4.69247 numMergedOcc 0
65 mol 227 unq 0 iso 1 dist 9.33735 10.8811 5.4694 15.9389 8.38865 5.22356 13.5696 5.28771 4.69247 4.1511 numMergedOcc 0
66 mol 229 unq 0 iso 0 dist 9.3376 12.696 8.92743 11.6366 8.08082 6.94172 11.8662 6.42694 11.0437 5.66641 numMergedOcc 0
67 mol 229 unq 0 iso 1 dist 9.3376 11.6366 8.08082 12.696 8.92743 6.94172 11.8662 6.42694 5.66641 11.0437 numMergedOcc 0
68 mol 229 unq 1 iso 0 dist 9.3376 12.696 8.92743 11.6366 8.08082 6.94172 6.73326 7.63917 11.9989 7.4175 numMergedOcc 0
69 mol 229 unq 1 iso 1 dist 9.3376 11.6366 8.08082 12.696 8.92743 6.94172 6.73326 7.63917 7.4175 11.9989 numMergedOcc 0
70 mol 229 unq 2 iso 0 dist 9.3376 12.696 8.92743 6.44004 5.77318 7.0298 11.8662 6.42694 11.0437 7.46815 numMergedOcc 0
71 mol 229 unq 2 iso 1 dist 9.3376 6.44004 5.77318 12.696 8.92743 7.0298 11.8662 6.42694 7.46815 11.0437 numMergedOcc 0
72 mol 229 unq 3 iso 0 dist 9.3376 12.696 8.92743 6.44004 5.77318 7.0298 6.73326 7.63917 11.9989 5.37687 numMergedOcc 0
73 mol 229 unq 3 iso 1 dist 9.3376 6.44004 5.77318 12.696 8.92743 7.0298 6.73326 7.63917 5.37687 11.9989 numMergedOcc 0
74 mol 229 unq 4 iso 0 dist 9.3376 12.696 8.92743 10.442 8.19603 15.7694 11.8662 6.42694 11.0437 6.62766 numMergedOcc 0
75 mol 229 unq 4 iso 1 dist 9.3376 10.442 8.19603 12.696 8.92743 15.7694 11.8662 6.42694 6.62766 11.0437 numMergedOcc 0
76 mol 229 unq 5 iso 0 dist 9.3376 12.696 8.92743 10.442 8.19603 15.7694 6.73326 7.63917 11.9989 6.03803 numMergedOcc 0
77 mol 229 unq 5 iso 1 dist 9.3376 10.442 8.19603 12.696 8.92743 15.7694 6.73326 7.63917 6.03803 11.9989 numMergedOcc 0
78 mol 229 unq 2 iso 0 dist 9.3376 11.6366 8.08082 6.44004 5.77318 5.5729 11.8662 6.42694 5.66641 7.46815 numMergedOcc 0
79 mol 229 unq 2 iso 1 dist 9.3376 6.44004 5.77318 11.6366 8.08082 5.5729 11.8662 6.42694 7.46815 5.66641 numMergedOcc 0
80 mol 229 unq 3 iso 0 dist 9.3376 11.6366 8.08082 6.44004 5.77318 5.5729 6.73326 7.63917 7.4175 5.37687 numMergedOcc 0
81 mol 229 unq 3 iso 1 dist 9.3376 6.44004 5.77318 11.6366 8.08082 5.5729 6.73326 7.63917 5.37687 7.4175 numMergedOcc 0
82 mol 229 unq 4 iso 0 dist 9.3376 11.6366 8.08082 10.442 8.19603 11.3041 11.8662 6.42694 5.66641 6.62766 numMergedOcc 0
83 mol 229 unq 4 iso 1 dist 9.3376 10.442 8.19603 11.6366 8.08082 11.3041 11.8662 6.42694 6.62766 5.66641 numMergedOcc 0
84 mol 229 unq 5 iso 0 dist 9.3376 11.6366 8.08082 10.442 8.19603 11.3041 6.73326 7.63917 7.4175 6.03803 numMergedOcc 0
85 mol 229 unq 5 iso 1 dist 9.3376 10.442 8.19603 11.6366 8.08082 11.3041 6.73326 7.63917 6.03803 7.4175 numMergedOcc 0
86 mol 229 unq 4 iso 0 dist 9.3376 6.44004 5.77318 10.442 8.19603 9.96077 11.8662 6.42694 7.46815 6.62766 numMergedOcc 0
87 mol 229 unq 4 iso 1 dist 9.3376 10.442 8.19603 6.44004 5.77318 9.96077 11.8662 6.42694 6.62766 7.46815 numMergedOcc 0
88 mol 229 unq 5 iso 0 dist 9.3376 6.44004 5.77318 10.442 8.19603 9.96077 6.73326 7.63917 5.37687 6.03803 numMergedOcc 0
89 mol 229 unq 5 iso 1 dist 9.3376 10.442 8.19603 6.44004 5.77318 9.96077 6.73326 7.63917 6.03803 5.37687 numMergedOcc 0
90 mol 278 unq 0 iso 0 dist 8.04138 6.42903 7.67245 10.3943 9.12395 5.74345 13.9445 8.63072 13.5923 10.9571 numMergedOcc 0
91 mol 278 unq 0 iso 1 dist 8.04138 10.3943 9.12395 6.42903 7.67245 5.74345 13.9445 8.63072 10.9571 13.5923 numMergedOcc 0
92 mol 278 unq 1 iso 0 dist 8.04138 6.42903 7.67245 10.3943 9.12395 5.74345 13.0506 7.59696 10.0918 6.48173 numMergedOcc 0
93 mol 278 unq 1 iso 1 dist 8.04138 10.3943 9.12395 6.42903 7.67245 5.74345 13.0506 7.59696 6.48173 10.0918 numMergedOcc 0
94 mol 279 unq 0 iso 0 dist 8.84798 13.8061 8.29305 7.7504 6.43341 6.67478 14.4305 5.8304 6.5644 9.40912 numMergedOcc 0
95 mol 279 unq 0 iso 1 dist 8.84798 7.7504 6.43341 13.8061 8.29305 6.67478 14.4305 5.8304 9.40912 6.5644 numMergedOcc 0
96 mol 279 unq 1 iso 0 dist 8.84798 13.8061 8.29305 7.7504 6.43341 6.67478 6.08238 7.37478 8.70069 4.14939 numMergedOcc 0
97 mol 279 unq 1 iso 1 dist 8.84798 7.7504 6.43341 13.8061 8.29305 6.67478 6.08238 7.37478 4.14939 8.70069 numMergedOcc 0
