0 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 4.17261 6.26071 5.94592 11.1067 8.00865 13.1699 10.5634 numMergedOcc 0
1 mol 13 unq 0 iso 1 dist 5.04036 4.17261 6.26071 5.6314 5.78148 5.94592 11.1067 8.00865 10.5634 13.1699 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 5.04036 5.6314 5.78148 4.17261 6.26071 5.94592 13.4623 9.11447 11.1987 12.0488 numMergedOcc 0
3 mol 13 unq 1 iso 1 dist 5.04036 4.17261 6.26071 5.6314 5.78148 5.94592 13.4623 9.11447 12.0488 11.1987 numMergedOcc 0
4 mol 13 unq 2 iso 0 dist 5.04036 5.6314 5.78148 6.68749 8.43325 10.8906 11.1067 8.00865 13.1699 8.66829 numMergedOcc 0
5 mol 13 unq 2 iso 1 dist 5.04036 6.68749 8.43325 5.6314 5.78148 10.8906 11.1067 8.00865 8.66829 13.1699 numMergedOcc 0
6 mol 13 unq 3 iso 0 dist 5.04036 5.6314 5.78148 6.68749 8.43325 10.8906 13.4623 9.11447 11.1987 14.2112 numMergedOcc 0
7 mol 13 unq 3 iso 1 dist 5.04036 6.68749 8.43325 5.6314 5.78148 10.8906 13.4623 9.11447 14.2112 11.1987 numMergedOcc 0
8 mol 13 unq 2 iso 0 dist 5.04036 4.17261 6.26071 6.68749 8.43325 5.43688 11.1067 8.00865 10.5634 8.66829 numMergedOcc 0
9 mol 13 unq 2 iso 1 dist 5.04036 6.68749 8.43325 4.17261 6.26071 5.43688 11.1067 8.00865 8.66829 10.5634 numMergedOcc 0
10 mol 13 unq 3 iso 0 dist 5.04036 4.17261 6.26071 6.68749 8.43325 5.43688 13.4623 9.11447 12.0488 14.2112 numMergedOcc 0
11 mol 13 unq 3 iso 1 dist 5.04036 6.68749 8.43325 4.17261 6.26071 5.43688 13.4623 9.11447 14.2112 12.0488 numMergedOcc 0
12 mol 13 unq 4 iso 0 dist 9.44958 11.3605 5.78148 13.8587 6.26071 5.94592 11.4587 8.00865 13.1699 10.5634 numMergedOcc 0
13 mol 13 unq 4 iso 1 dist 9.44958 13.8587 6.26071 11.3605 5.78148 5.94592 11.4587 8.00865 10.5634 13.1699 numMergedOcc 0
14 mol 13 unq 5 iso 0 dist 9.44958 11.3605 5.78148 13.8587 6.26071 5.94592 4.14738 9.11447 11.1987 12.0488 numMergedOcc 0
15 mol 13 unq 5 iso 1 dist 9.44958 13.8587 6.26071 11.3605 5.78148 5.94592 4.14738 9.11447 12.0488 11.1987 numMergedOcc 0
16 mol 13 unq 6 iso 0 dist 9.44958 11.3605 5.78148 16.4369 8.43325 10.8906 11.4587 8.00865 13.1699 8.66829 numMergedOcc 0
17 mol 13 unq 6 iso 1 dist 9.44958 16.4369 8.43325 11.3605 5.78148 10.8906 11.4587 8.00865 8.66829 13.1699 numMergedOcc 0
18 mol 13 unq 7 iso 0 dist 9.44958 11.3605 5.78148 16.4369 8.43325 10.8906 4.14738 9.11447 11.1987 14.2112 numMergedOcc 0
19 mol 13 unq 7 iso 1 dist 9.44958 16.4369 8.43325 11.3605 5.78148 10.8906 4.14738 9.11447 14.2112 11.1987 numMergedOcc 0
20 mol 13 unq 6 iso 0 dist 9.44958 13.8587 6.26071 16.4369 8.43325 5.43688 11.4587 8.00865 10.5634 8.66829 numMergedOcc 0
21 mol 13 unq 6 iso 1 dist 9.44958 16.4369 8.43325 13.8587 6.26071 5.43688 11.4587 8.00865 8.66829 10.5634 numMergedOcc 0
22 mol 13 unq 7 iso 0 dist 9.44958 13.8587 6.26071 16.4369 8.43325 5.43688 4.14738 9.11447 12.0488 14.2112 numMergedOcc 0
23 mol 13 unq 7 iso 1 dist 9.44958 16.4369 8.43325 13.8587 6.26071 5.43688 4.14738 9.11447 14.2112 12.0488 numMergedOcc 0
24 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 8.18809 8.6385 9.78225 10.1809 7.61055 9.87119 4.74747 numMergedOcc 0
25 mol 26 unq 0 iso 1 dist 6.73259 8.18809 8.6385 4.09495 5.69955 9.78225 10.1809 7.61055 4.74747 9.87119 numMergedOcc 0
26 mol 26 unq 1 iso 0 dist 8.60352 8.26353 5.69955 7.06347 8.6385 9.78225 4.53839 7.61055 9.87119 4.74747 numMergedOcc 0
27 mol 26 unq 1 iso 1 dist 8.60352 7.06347 8.6385 8.26353 5.69955 9.78225 4.53839 7.61055 4.74747 9.87119 numMergedOcc 0
28 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 15.232 9.12858 6.30447 12.5605 7.85041 8.58164 9.67788 numMergedOcc 0
29 mol 93 unq 0 iso 1 dist 8.42713 15.232 9.12858 17.674 9.81831 6.30447 12.5605 7.85041 9.67788 8.58164 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 12.5871 9.4523 9.91939 12.5605 7.85041 8.58164 5.33106 numMergedOcc 0
31 mol 93 unq 1 iso 1 dist 8.42713 12.5871 9.4523 17.674 9.81831 9.91939 12.5605 7.85041 5.33106 8.58164 numMergedOcc 0
32 mol 93 unq 1 iso 0 dist 8.42713 15.232 9.12858 12.5871 9.4523 7.66728 12.5605 7.85041 9.67788 5.33106 numMergedOcc 0
33 mol 93 unq 1 iso 1 dist 8.42713 12.5871 9.4523 15.232 9.12858 7.66728 12.5605 7.85041 5.33106 9.67788 numMergedOcc 0
34 mol 93 unq 2 iso 0 dist 8.21032 6.25741 9.81831 10.0172 9.12858 6.30447 10.878 7.85041 8.58164 9.67788 numMergedOcc 0
35 mol 93 unq 2 iso 1 dist 8.21032 10.0172 9.12858 6.25741 9.81831 6.30447 10.878 7.85041 9.67788 8.58164 numMergedOcc 0
36 mol 93 unq 3 iso 0 dist 8.21032 6.25741 9.81831 13.6269 9.4523 9.91939 10.878 7.85041 8.58164 5.33106 numMergedOcc 0
37 mol 93 unq 3 iso 1 dist 8.21032 13.6269 9.4523 6.25741 9.81831 9.91939 10.878 7.85041 5.33106 8.58164 numMergedOcc 0
38 mol 93 unq 3 iso 0 dist 8.21032 10.0172 9.12858 13.6269 9.4523 7.66728 10.878 7.85041 9.67788 5.33106 numMergedOcc 0
39 mol 93 unq 3 iso 1 dist 8.21032 13.6269 9.4523 10.0172 9.12858 7.66728 10.878 7.85041 5.33106 9.67788 numMergedOcc 0
40 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.5583 6.28351 7.15222 4.10092 5.1101 5.08802 8.59354 numMergedOcc 0
41 mol 147 unq 0 iso 1 dist 6.4752 10.5583 6.28351 8.95179 5.49226 7.15222 4.10092 5.1101 8.59354 5.08802 numMergedOcc 0
42 mol 147 unq 1 iso 0 dist 6.4752 8.95179 5.49226 10.5583 6.28351 7.15222 4.47436 7.01133 10.1972 8.54341 numMergedOcc 0
43 mol 147 unq 1 iso 1 dist 6.4752 10.5583 6.28351 8.95179 5.49226 7.15222 4.47436 7.01133 8.54341 10.1972 numMergedOcc 0
44 mol 148 unq 0 iso 0 dist 5.06687 5.59872 9.02318 9.27313 9.74542 6.83844 11.6995 8.12589 12.144 10.2478 numMergedOcc 0
45 mol 148 unq 0 iso 1 dist 5.06687 9.27313 9.74542 5.59872 9.02318 6.83844 11.6995 8.12589 10.2478 12.144 numMergedOcc 0
46 mol 148 unq 1 iso 0 dist 5.06687 5.59872 9.02318 8.61198 7.97543 7.26616 11.6995 8.12589 12.144 6.29254 numMergedOcc 0
47 mol 148 unq 1 iso 1 dist 5.06687 8.61198 7.97543 5.59872 9.02318 7.26616 11.6995 8.12589 6.29254 12.144 numMergedOcc 0
48 mol 148 unq 1 iso 0 dist 5.06687 9.27313 9.74542 8.61198 7.97543 8.72919 11.6995 8.12589 10.2478 6.29254 numMergedOcc 0
49 mol 148 unq 1 iso 1 dist 5.06687 8.61198 7.97543 9.27313 9.74542 8.72919 11.6995 8.12589 6.29254 10.2478 numMergedOcc 0
50 mol 150 unq 0 iso 0 dist 5.09809 9.25213 9.6606 8.68422 7.85526 8.77324 11.8035 8.11592 10.2318 6.25747 numMergedOcc 0
51 mol 150 unq 0 iso 1 dist 5.09809 8.68422 7.85526 9.25213 9.6606 8.77324 11.8035 8.11592 6.25747 10.2318 numMergedOcc 0
52 mol 150 unq 1 iso 0 dist 5.09809 9.25213 9.6606 5.56996 8.94552 6.98865 11.8035 8.11592 10.2318 12.154 numMergedOcc 0
53 mol 150 unq 1 iso 1 dist 5.09809 5.56996 8.94552 9.25213 9.6606 6.98865 11.8035 8.11592 12.154 10.2318 numMergedOcc 0
54 mol 150 unq 1 iso 0 dist 5.09809 8.68422 7.85526 5.56996 8.94552 7.24908 11.8035 8.11592 6.25747 12.154 numMergedOcc 0
55 mol 150 unq 1 iso 1 dist 5.09809 5.56996 8.94552 8.68422 7.85526 7.24908 11.8035 8.11592 12.154 6.25747 numMergedOcc 0
56 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.36943 8.12346 8.0179 11.5684 9.77862 15.9311 13.7758 numMergedOcc 0
57 mol 194 unq 0 iso 1 dist 7.47107 9.36943 8.12346 10.2633 6.26839 8.0179 11.5684 9.77862 13.7758 15.9311 numMergedOcc 0
58 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 7.72655 8.83356 14.6506 11.5684 9.77862 15.9311 5.38925 numMergedOcc 0
59 mol 194 unq 1 iso 1 dist 7.47107 7.72655 8.83356 10.2633 6.26839 14.6506 11.5684 9.77862 5.38925 15.9311 numMergedOcc 0
60 mol 194 unq 2 iso 0 dist 7.47107 10.2633 6.26839 4.57265 8.2654 8.48054 11.5684 9.77862 15.9311 14.2415 numMergedOcc 0
61 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 10.2633 6.26839 8.48054 11.5684 9.77862 14.2415 15.9311 numMergedOcc 0
62 mol 194 unq 1 iso 0 dist 7.47107 9.36943 8.12346 7.72655 8.83356 13.5632 11.5684 9.77862 13.7758 5.38925 numMergedOcc 0
63 mol 194 unq 1 iso 1 dist 7.47107 7.72655 8.83356 9.36943 8.12346 13.5632 11.5684 9.77862 5.38925 13.7758 numMergedOcc 0
64 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 4.57265 8.2654 6.26298 11.5684 9.77862 13.7758 14.2415 numMergedOcc 0
65 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 9.36943 8.12346 6.26298 11.5684 9.77862 14.2415 13.7758 numMergedOcc 0
66 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 4.57265 8.2654 11.6097 11.5684 9.77862 5.38925 14.2415 numMergedOcc 0
67 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 7.72655 8.83356 11.6097 11.5684 9.77862 14.2415 5.38925 numMergedOcc 0
68 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 7.2593 5.4694 5.22356 4.71182 9.20589 9.60993 5.34702 numMergedOcc 0
69 mol 227 unq 0 iso 1 dist 8.12518 7.2593 5.4694 12.3465 8.38865 5.22356 4.71182 9.20589 5.34702 9.60993 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 7.2593 5.4694 5.22356 7.51342 7.89801 13.3557 8.8709 numMergedOcc 0
71 mol 227 unq 1 iso 1 dist 8.12518 7.2593 5.4694 12.3465 8.38865 5.22356 7.51342 7.89801 8.8709 13.3557 numMergedOcc 0
72 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 13.1893 8.44909 4.28414 7.4874 8.33853 10.7371 7.75407 numMergedOcc 0
73 mol 240 unq 0 iso 1 dist 8.44671 13.1893 8.44909 15.9853 9.47583 4.28414 7.4874 8.33853 7.75407 10.7371 numMergedOcc 0
74 mol 240 unq 1 iso 0 dist 8.44671 15.9853 9.47583 13.1893 8.44909 4.28414 3.97303 5.66537 13.9225 12.076 numMergedOcc 0
75 mol 240 unq 1 iso 1 dist 8.44671 13.1893 8.44909 15.9853 9.47583 4.28414 3.97303 5.66537 12.076 13.9225 numMergedOcc 0
76 mol 252 unq 0 iso 0 dist 9.81593 8.32163 8.47784 10.6815 8.66469 13.2361 7.31906 5.2361 4.23801 9.12442 numMergedOcc 0
77 mol 252 unq 0 iso 1 dist 9.81593 10.6815 8.66469 8.32163 8.47784 13.2361 7.31906 5.2361 9.12442 4.23801 numMergedOcc 0
78 mol 252 unq 1 iso 0 dist 9.81593 8.32163 8.47784 10.6815 8.66469 13.2361 12.2338 5.57515 13.6996 7.35945 numMergedOcc 0
79 mol 252 unq 1 iso 1 dist 9.81593 10.6815 8.66469 8.32163 8.47784 13.2361 12.2338 5.57515 7.35945 13.6996 numMergedOcc 0
80 mol 252 unq 2 iso 0 dist 9.81593 8.32163 8.47784 10.6815 8.66469 13.2361 14.2535 8.28694 15.4395 5.26003 numMergedOcc 0
81 mol 252 unq 2 iso 1 dist 9.81593 10.6815 8.66469 8.32163 8.47784 13.2361 14.2535 8.28694 5.26003 15.4395 numMergedOcc 0
82 mol 252 unq 3 iso 0 dist 9.78248 16.5062 8.47784 9.67333 8.66469 13.2361 12.8039 5.2361 4.23801 9.12442 numMergedOcc 0
83 mol 252 unq 3 iso 1 dist 9.78248 9.67333 8.66469 16.5062 8.47784 13.2361 12.8039 5.2361 9.12442 4.23801 numMergedOcc 0
84 mol 252 unq 4 iso 0 dist 9.78248 16.5062 8.47784 9.67333 8.66469 13.2361 8.32839 5.57515 13.6996 7.35945 numMergedOcc 0
85 mol 252 unq 4 iso 1 dist 9.78248 9.67333 8.66469 16.5062 8.47784 13.2361 8.32839 5.57515 7.35945 13.6996 numMergedOcc 0
86 mol 252 unq 5 iso 0 dist 9.78248 16.5062 8.47784 9.67333 8.66469 13.2361 5.63228 8.28694 15.4395 5.26003 numMergedOcc 0
87 mol 252 unq 5 iso 1 dist 9.78248 9.67333 8.66469 16.5062 8.47784 13.2361 5.63228 8.28694 5.26003 15.4395 numMergedOcc 0
88 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 13.8765 6.14323 4.92077 9.63193 9.42738 8.16326 12.3807 numMergedOcc 0
89 mol 264 unq 0 iso 1 dist 8.28871 13.8765 6.14323 11.5671 6.04162 4.92077 9.63193 9.42738 12.3807 8.16326 numMergedOcc 0
90 mol 264 unq 1 iso 0 dist 7.94668 5.21164 6.04162 6.12009 6.14323 4.92077 12.2052 9.42738 8.16326 12.3807 numMergedOcc 0
91 mol 264 unq 1 iso 1 dist 7.94668 6.12009 6.14323 5.21164 6.04162 4.92077 12.2052 9.42738 12.3807 8.16326 numMergedOcc 0
92 mol 272 unq 0 iso 0 dist 8.36282 9.49608 9.64269 5.87695 6.88809 6.6954 10.5255 7.55161 4.72202 8.5751 numMergedOcc 0
93 mol 272 unq 0 iso 1 dist 8.36282 5.87695 6.88809 9.49608 9.64269 6.6954 10.5255 7.55161 8.5751 4.72202 numMergedOcc 0
94 mol 272 unq 1 iso 0 dist 8.36282 9.49608 9.64269 12.8166 8.46061 8.12676 10.5255 7.55161 4.72202 8.52877 numMergedOcc 0
95 mol 272 unq 1 iso 1 dist 8.36282 12.8166 8.46061 9.49608 9.64269 8.12676 10.5255 7.55161 8.52877 4.72202 numMergedOcc 0
96 mol 272 unq 1 iso 0 dist 8.36282 5.87695 6.88809 12.8166 8.46061 7.34222 10.5255 7.55161 8.5751 8.52877 numMergedOcc 0
97 mol 272 unq 1 iso 1 dist 8.36282 12.8166 8.46061 5.87695 6.88809 7.34222 10.5255 7.55161 8.52877 8.5751 numMergedOcc 0
98 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 8.33297 6.43341 6.67478 7.73611 8.23056 5.3373 7.18967 numMergedOcc 0
99 mol 279 unq 0 iso 1 dist 5.63154 8.33297 6.43341 5.15837 8.29305 6.67478 7.73611 8.23056 7.18967 5.3373 numMergedOcc 0
