0 mol 26 unq 0 iso 0 dist 6.67455 4.01506 9.2772 3.30063 6.70325 6.79894 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.2772 4.01506 6.67455 6.79894 6.70325 3.30063 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 6.42569 3.81436 9.13872 11.3102 5.98867 12.71 numMergedOcc 0
3 mol 33 unq 0 iso 1 dist 9.13872 3.81436 6.42569 12.71 5.98867 11.3102 numMergedOcc 0
4 mol 33 unq 1 iso 0 dist 6.42569 4.59375 7.27307 11.3102 5.98867 9.65713 numMergedOcc 0
5 mol 33 unq 1 iso 1 dist 7.27307 4.59375 6.42569 9.65713 5.98867 11.3102 numMergedOcc 0
6 mol 33 unq 2 iso 0 dist 6.42569 8.78909 5.73206 11.3102 5.98867 3.93232 numMergedOcc 0
7 mol 33 unq 2 iso 1 dist 5.73206 8.78909 6.42569 3.93232 5.98867 11.3102 numMergedOcc 0
8 mol 33 unq 1 iso 0 dist 9.13872 3.8653 7.27307 12.71 5.98867 9.65713 numMergedOcc 0
9 mol 33 unq 1 iso 1 dist 7.27307 3.8653 9.13872 9.65713 5.98867 12.71 numMergedOcc 0
10 mol 33 unq 2 iso 0 dist 9.13872 9.45612 5.73206 12.71 5.98867 3.93232 numMergedOcc 0
11 mol 33 unq 2 iso 1 dist 5.73206 9.45612 9.13872 3.93232 5.98867 12.71 numMergedOcc 0
12 mol 33 unq 2 iso 0 dist 7.27307 6.05212 5.73206 9.65713 5.98867 3.93232 numMergedOcc 0
13 mol 33 unq 2 iso 1 dist 5.73206 6.05212 7.27307 3.93232 5.98867 9.65713 numMergedOcc 0
14 mol 37 unq 0 iso 0 dist 7.17889 6.54418 8.38803 6.6276 9.86496 10.8321 numMergedOcc 0
15 mol 37 unq 0 iso 1 dist 8.38803 6.54418 7.17889 10.8321 9.86496 6.6276 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 7.00234 7.55848 7.30652 8.04676 9.87102 14.2223 numMergedOcc 0
17 mol 69 unq 0 iso 1 dist 7.30652 7.55848 7.00234 14.2223 9.87102 8.04676 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 8.92491 12.5963 7.41861 13.3471 9.50939 9.68005 numMergedOcc 0
19 mol 76 unq 0 iso 1 dist 7.41861 12.5963 8.92491 9.68005 9.50939 13.3471 numMergedOcc 0
20 mol 83 unq 0 iso 0 dist 6.77845 6.07706 5.48555 5.31562 5.13041 8.56578 numMergedOcc 0
21 mol 83 unq 0 iso 1 dist 5.48555 6.07706 6.77845 8.56578 5.13041 5.31562 numMergedOcc 0
22 mol 83 unq 1 iso 0 dist 6.77845 5.8054 5.39805 5.31562 5.13041 3.7497 numMergedOcc 0
23 mol 83 unq 1 iso 1 dist 5.39805 5.8054 6.77845 3.7497 5.13041 5.31562 numMergedOcc 0
24 mol 83 unq 1 iso 0 dist 5.48555 7.55807 5.39805 8.56578 5.13041 3.7497 numMergedOcc 0
25 mol 83 unq 1 iso 1 dist 5.39805 7.55807 5.48555 3.7497 5.13041 8.56578 numMergedOcc 0
26 mol 130 unq 0 iso 0 dist 8.17814 11.1012 9.14434 8.48716 9.58166 16.3356 numMergedOcc 0
27 mol 130 unq 0 iso 1 dist 9.14434 11.1012 8.17814 16.3356 9.58166 8.48716 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.9268 7.57921 8.19166 8.4707 8.98028 6.42838 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 8.19166 7.57921 6.9268 6.42838 8.98028 8.4707 numMergedOcc 0
30 mol 167 unq 0 iso 0 dist 6.28957 3.81938 7.34285 3.92405 7.20131 6.18329 numMergedOcc 0
31 mol 167 unq 0 iso 1 dist 7.34285 3.81938 6.28957 6.18329 7.20131 3.92405 numMergedOcc 0
32 mol 167 unq 1 iso 0 dist 9.63473 7.49794 8.39087 3.86842 7.84707 3.72502 numMergedOcc 0
33 mol 167 unq 1 iso 1 dist 8.39087 7.49794 9.63473 3.72502 7.84707 3.86842 numMergedOcc 0
34 mol 169 unq 0 iso 0 dist 6.09291 12.0967 9.76796 4.24401 6.27378 9.223 numMergedOcc 0
35 mol 169 unq 0 iso 1 dist 9.76796 12.0967 6.09291 9.223 6.27378 4.24401 numMergedOcc 0
36 mol 169 unq 1 iso 0 dist 6.09291 12.9289 9.90583 4.24401 6.27378 9.35916 numMergedOcc 0
37 mol 169 unq 1 iso 1 dist 9.90583 12.9289 6.09291 9.35916 6.27378 4.24401 numMergedOcc 0
38 mol 169 unq 1 iso 0 dist 9.76796 4.53733 9.90583 9.223 6.27378 9.35916 numMergedOcc 0
39 mol 169 unq 1 iso 1 dist 9.90583 4.53733 9.76796 9.35916 6.27378 9.223 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 5.81277 5.80929 5.05912 3.83801 9.21286 9.4797 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 5.05912 5.80929 5.81277 9.4797 9.21286 3.83801 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 5.81277 9.66755 6.60429 3.83801 9.21286 13.314 numMergedOcc 0
43 mol 205 unq 1 iso 1 dist 6.60429 9.66755 5.81277 13.314 9.21286 3.83801 numMergedOcc 0
44 mol 205 unq 1 iso 0 dist 5.05912 4.20051 6.60429 9.4797 9.21286 13.314 numMergedOcc 0
45 mol 205 unq 1 iso 1 dist 6.60429 4.20051 5.05912 13.314 9.21286 9.4797 numMergedOcc 0
46 mol 233 unq 0 iso 0 dist 7.20629 12.6778 9.44671 5.33407 9.8976 10.6613 numMergedOcc 0
47 mol 233 unq 0 iso 1 dist 9.44671 12.6778 7.20629 10.6613 9.8976 5.33407 numMergedOcc 0
48 mol 233 unq 1 iso 0 dist 7.20629 12.6778 9.44671 9.06901 7.97911 4.45501 numMergedOcc 0
49 mol 233 unq 1 iso 1 dist 9.44671 12.6778 7.20629 4.45501 7.97911 9.06901 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 4.53228 6.04459 8.54078 6.29809 5.4687 8.19053 numMergedOcc 0
51 mol 239 unq 0 iso 1 dist 8.54078 6.04459 4.53228 8.19053 5.4687 6.29809 numMergedOcc 0
52 mol 265 unq 0 iso 0 dist 8.5774 10.4994 9.94957 8.80592 6.04835 14.366 numMergedOcc 0
53 mol 265 unq 0 iso 1 dist 9.94957 10.4994 8.5774 14.366 6.04835 8.80592 numMergedOcc 0
54 mol 265 unq 1 iso 0 dist 8.5774 5.78969 8.01664 8.80592 6.04835 11.7178 numMergedOcc 0
55 mol 265 unq 1 iso 1 dist 8.01664 5.78969 8.5774 11.7178 6.04835 8.80592 numMergedOcc 0
56 mol 265 unq 1 iso 0 dist 9.94957 5.97995 8.01664 14.366 6.04835 11.7178 numMergedOcc 0
57 mol 265 unq 1 iso 1 dist 8.01664 5.97995 9.94957 11.7178 6.04835 14.366 numMergedOcc 0
