0 mol 51 unq 0 iso 0 dist 9.97973 9.60137 7.76282 12.0777 7.40639 4.146 numMergedOcc 0
1 mol 51 unq 1 iso 0 dist 9.42071 10.1569 7.76282 10.2429 7.40639 4.146 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 8.83047 14.3035 7.09169 5.86191 6.2676 9.22034 numMergedOcc 0
3 mol 53 unq 1 iso 0 dist 6.95013 5.02495 7.09169 8.21791 6.2676 9.22034 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 6.78356 14.6957 8.63486 11.5077 5.07125 6.15355 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.91206 12.3394 8.03303 13.1036 7.69861 8.96557 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.67513 14.4506 8.03303 7.16384 7.69861 8.96557 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.22996 6.09495 6.49956 7.25403 7.0561 4.3481 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 6.3642 8.4965 5.03039 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 15.9454 9.6121 6.9194 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.84146 13.7656 7.77116 17.7274 9.57341 9.68677 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 7.68174 13.9162 9.46588 5.11016 8.66815 10.7549 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 4.85559 7.09664 8.33077 7.12852 6.5739 7.21225 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 6.87562 9.03539 8.33077 3.79867 6.5739 7.21225 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 9.3543 6.92726 12.4535 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 9.19078 11.3742 8.28642 9.3543 6.92726 9.84297 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 7.24115 13.5328 7.88319 4.87865 6.11331 13.7172 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 6.40448 5.72 8.54827 5.62792 9.20493 6.2342 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 10.2673 8.57801 6.89047 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 4.97005 10.0248 7.24795 10.2673 8.57801 3.90244 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 4.97005 9.14781 8.64409 10.2673 8.57801 12.6058 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 4.97005 6.69897 7.60202 10.2673 8.57801 7.21555 numMergedOcc 0
22 mol 186 unq 4 iso 0 dist 5.67811 9.13357 7.28841 9.71205 8.17226 8.0472 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 5.39223 5.53324 10.0756 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 11.8568 6.72182 11.8031 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 5.39223 5.53324 10.2793 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 8.63008 15.3582 8.12346 11.8568 6.72182 9.09233 numMergedOcc 0
27 mol 194 unq 4 iso 0 dist 8.63008 10.977 8.83356 5.39223 5.53324 10.463 numMergedOcc 0
28 mol 194 unq 5 iso 0 dist 8.63008 10.977 8.83356 11.8568 6.72182 4.66791 numMergedOcc 0
29 mol 194 unq 6 iso 0 dist 8.63008 16.6746 8.2654 5.39223 5.53324 12.8494 numMergedOcc 0
30 mol 194 unq 7 iso 0 dist 8.63008 16.6746 8.2654 11.8568 6.72182 7.73551 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 5.46768 7.00308 6.60567 4.79025 6.34234 5.41635 numMergedOcc 0
32 mol 195 unq 1 iso 0 dist 5.46768 7.00308 6.60567 6.01032 7.87972 11.9954 numMergedOcc 0
33 mol 195 unq 2 iso 0 dist 5.46768 5.34788 7.62942 4.79025 6.34234 6.04871 numMergedOcc 0
34 mol 195 unq 3 iso 0 dist 5.46768 5.34788 7.62942 6.01032 7.87972 8.04534 numMergedOcc 0
35 mol 207 unq 0 iso 0 dist 7.21449 6.32727 8.32218 11.9587 8.78061 14.0642 numMergedOcc 0
36 mol 207 unq 1 iso 0 dist 7.21449 11.0577 7.96797 11.9587 8.78061 4.56899 numMergedOcc 0
37 mol 207 unq 2 iso 0 dist 9.22778 7.53149 8.32218 16.8541 8.78061 14.0642 numMergedOcc 0
38 mol 207 unq 3 iso 0 dist 9.22778 15.6632 7.96797 16.8541 8.78061 4.56899 numMergedOcc 0
39 mol 210 unq 0 iso 0 dist 9.05206 8.99603 7.63018 4.86533 9.14831 11.3763 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 9.04499 15.0199 9.2581 12.9462 7.97027 9.01393 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 9.04499 15.0199 9.2581 11.0561 6.81955 6.25425 numMergedOcc 0
42 mol 222 unq 2 iso 0 dist 9.04499 15.0199 9.2581 9.50604 4.9876 5.64455 numMergedOcc 0
43 mol 222 unq 3 iso 0 dist 9.04499 8.88 9.62632 12.9462 7.97027 13.3586 numMergedOcc 0
44 mol 222 unq 4 iso 0 dist 9.04499 8.88 9.62632 11.0561 6.81955 5.16212 numMergedOcc 0
45 mol 222 unq 5 iso 0 dist 9.04499 8.88 9.62632 9.50604 4.9876 5.9478 numMergedOcc 0
46 mol 222 unq 6 iso 0 dist 9.04499 5.68063 7.862 12.9462 7.97027 8.84507 numMergedOcc 0
47 mol 222 unq 7 iso 0 dist 9.04499 5.68063 7.862 11.0561 6.81955 8.67203 numMergedOcc 0
48 mol 222 unq 8 iso 0 dist 9.04499 5.68063 7.862 9.50604 4.9876 6.02502 numMergedOcc 0
49 mol 225 unq 0 iso 0 dist 7.00547 5.93967 9.18895 8.94002 9.22269 4.81762 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 13.5696 5.28771 4.1511 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 9.33735 10.8811 5.4694 13.5696 5.28771 4.69247 numMergedOcc 0
52 mol 229 unq 0 iso 0 dist 9.3376 12.696 8.92743 11.8662 6.42694 11.0437 numMergedOcc 0
53 mol 229 unq 1 iso 0 dist 9.3376 12.696 8.92743 6.73326 7.63917 11.9989 numMergedOcc 0
54 mol 229 unq 2 iso 0 dist 9.3376 11.6366 8.08082 11.8662 6.42694 5.66641 numMergedOcc 0
55 mol 229 unq 3 iso 0 dist 9.3376 11.6366 8.08082 6.73326 7.63917 7.4175 numMergedOcc 0
56 mol 229 unq 4 iso 0 dist 9.3376 6.44004 5.77318 11.8662 6.42694 7.46815 numMergedOcc 0
57 mol 229 unq 5 iso 0 dist 9.3376 6.44004 5.77318 6.73326 7.63917 5.37687 numMergedOcc 0
58 mol 229 unq 6 iso 0 dist 9.3376 10.442 8.19603 11.8662 6.42694 6.62766 numMergedOcc 0
59 mol 229 unq 7 iso 0 dist 9.3376 10.442 8.19603 6.73326 7.63917 6.03803 numMergedOcc 0
60 mol 237 unq 0 iso 0 dist 7.68769 9.81634 7.42587 12.2324 8.7414 6.01528 numMergedOcc 0
61 mol 251 unq 0 iso 0 dist 5.0953 5.6933 8.01198 5.04918 6.42747 4.86046 numMergedOcc 0
62 mol 266 unq 0 iso 0 dist 9.98606 6.01492 7.71657 9.91008 8.20485 4.74189 numMergedOcc 0
63 mol 278 unq 0 iso 0 dist 8.04138 6.42903 7.67245 13.9445 8.63072 13.5923 numMergedOcc 0
64 mol 278 unq 1 iso 0 dist 8.04138 6.42903 7.67245 13.0506 7.59696 10.0918 numMergedOcc 0
65 mol 278 unq 2 iso 0 dist 8.04138 10.3943 9.12395 13.9445 8.63072 10.9571 numMergedOcc 0
66 mol 278 unq 3 iso 0 dist 8.04138 10.3943 9.12395 13.0506 7.59696 6.48173 numMergedOcc 0
67 mol 279 unq 0 iso 0 dist 8.84798 13.8061 8.29305 14.4305 5.8304 6.5644 numMergedOcc 0
68 mol 279 unq 1 iso 0 dist 8.84798 13.8061 8.29305 6.08238 7.37478 8.70069 numMergedOcc 0
69 mol 279 unq 2 iso 0 dist 8.84798 7.7504 6.43341 14.4305 5.8304 9.40912 numMergedOcc 0
70 mol 279 unq 3 iso 0 dist 8.84798 7.7504 6.43341 6.08238 7.37478 4.14939 numMergedOcc 0
