0 mol 34 unq 0 iso 0 dist 9.33027 9.26362 9.87332 7.05327 6.35031 6.58698 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 9.33027 7.05327 6.35031 9.26362 9.87332 6.58698 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 7.32707 9.26362 3.9873 7.05327 5.50427 6.58698 numMergedOcc 0
3 mol 34 unq 1 iso 1 dist 7.32707 7.05327 5.50427 9.26362 3.9873 6.58698 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 7.90574 9.26362 4.5357 7.05327 3.54863 6.58698 numMergedOcc 0
5 mol 34 unq 2 iso 1 dist 7.90574 7.05327 3.54863 9.26362 4.5357 6.58698 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.34031 8.44353 11.6319 6.11249 5.39812 6.87266 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 7.34031 6.11249 5.39812 8.44353 11.6319 6.87266 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.34031 8.44353 11.6319 7.86326 8.55482 4.62605 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 7.34031 7.86326 8.55482 8.44353 11.6319 4.62605 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 7.34031 8.44353 11.6319 4.74786 3.50984 10.1674 numMergedOcc 0
11 mol 48 unq 2 iso 1 dist 7.34031 4.74786 3.50984 8.44353 11.6319 10.1674 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 7.34031 6.11249 5.39812 7.86326 8.55482 3.23184 numMergedOcc 0
13 mol 48 unq 1 iso 1 dist 7.34031 7.86326 8.55482 6.11249 5.39812 3.23184 numMergedOcc 0
14 mol 48 unq 2 iso 0 dist 7.34031 6.11249 5.39812 4.74786 3.50984 5.61785 numMergedOcc 0
15 mol 48 unq 2 iso 1 dist 7.34031 4.74786 3.50984 6.11249 5.39812 5.61785 numMergedOcc 0
16 mol 48 unq 2 iso 0 dist 7.34031 7.86326 8.55482 4.74786 3.50984 8.43495 numMergedOcc 0
17 mol 48 unq 2 iso 1 dist 7.34031 4.74786 3.50984 7.86326 8.55482 8.43495 numMergedOcc 0
18 mol 48 unq 3 iso 0 dist 7.281 4.53565 3.65036 8.53722 11.611 9.94041 numMergedOcc 0
19 mol 48 unq 3 iso 1 dist 7.281 8.53722 11.611 4.53565 3.65036 9.94041 numMergedOcc 0
20 mol 48 unq 4 iso 0 dist 7.281 4.53565 3.65036 6.15814 5.37655 5.553 numMergedOcc 0
21 mol 48 unq 4 iso 1 dist 7.281 6.15814 5.37655 4.53565 3.65036 5.553 numMergedOcc 0
22 mol 48 unq 5 iso 0 dist 7.281 4.53565 3.65036 7.70284 8.48119 8.14415 numMergedOcc 0
23 mol 48 unq 5 iso 1 dist 7.281 7.70284 8.48119 4.53565 3.65036 8.14415 numMergedOcc 0
24 mol 48 unq 4 iso 0 dist 7.281 8.53722 11.611 6.15814 5.37655 6.96103 numMergedOcc 0
25 mol 48 unq 4 iso 1 dist 7.281 6.15814 5.37655 8.53722 11.611 6.96103 numMergedOcc 0
26 mol 48 unq 5 iso 0 dist 7.281 8.53722 11.611 7.70284 8.48119 4.54874 numMergedOcc 0
27 mol 48 unq 5 iso 1 dist 7.281 7.70284 8.48119 8.53722 11.611 4.54874 numMergedOcc 0
28 mol 48 unq 5 iso 0 dist 7.281 6.15814 5.37655 7.70284 8.48119 3.18526 numMergedOcc 0
29 mol 48 unq 5 iso 1 dist 7.281 7.70284 8.48119 6.15814 5.37655 3.18526 numMergedOcc 0
30 mol 59 unq 0 iso 0 dist 9.43355 7.92479 3.68327 7.86646 9.13939 10.472 numMergedOcc 0
31 mol 59 unq 0 iso 1 dist 9.43355 7.86646 9.13939 7.92479 3.68327 10.472 numMergedOcc 0
32 mol 59 unq 1 iso 0 dist 7.9327 7.92479 15.3578 7.86646 10.3023 10.472 numMergedOcc 0
33 mol 59 unq 1 iso 1 dist 7.9327 7.86646 10.3023 7.92479 15.3578 10.472 numMergedOcc 0
34 mol 79 unq 0 iso 0 dist 7.87237 7.90338 5.25584 7.08462 5.79629 5.30569 numMergedOcc 0
35 mol 79 unq 0 iso 1 dist 7.87237 7.08462 5.79629 7.90338 5.25584 5.30569 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 6.05495 5.61151 5.22259 6.54289 7.66499 2.58673 numMergedOcc 0
37 mol 85 unq 0 iso 1 dist 6.05495 6.54289 7.66499 5.61151 5.22259 2.58673 numMergedOcc 0
38 mol 90 unq 0 iso 0 dist 9.56752 6.18681 5.57394 9.33288 3.54647 5.0846 numMergedOcc 0
39 mol 90 unq 0 iso 1 dist 9.56752 9.33288 3.54647 6.18681 5.57394 5.0846 numMergedOcc 0
40 mol 113 unq 0 iso 0 dist 7.33541 5.45882 11.746 4.57487 9.9322 3.74304 numMergedOcc 0
41 mol 113 unq 0 iso 1 dist 7.33541 4.57487 9.9322 5.45882 11.746 3.74304 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 7.10526 4.51124 3.85186 8.41517 9.61866 8.59834 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 7.10526 8.41517 9.61866 4.51124 3.85186 8.59834 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 7.34094 8.56867 13.0664 6.29872 10.4666 2.95376 numMergedOcc 0
45 mol 264 unq 0 iso 1 dist 7.34094 6.29872 10.4666 8.56867 13.0664 2.95376 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 5.59555 7.77225 3.96271 5.50067 5.39801 9.30266 numMergedOcc 0
47 mol 287 unq 0 iso 1 dist 5.59555 5.50067 5.39801 7.77225 3.96271 9.30266 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 5.59555 7.77225 3.96271 5.50067 5.39801 9.30266 numMergedOcc 0
49 mol 288 unq 0 iso 1 dist 5.59555 5.50067 5.39801 7.77225 3.96271 9.30266 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 5.59555 7.77225 3.96271 5.50067 5.39801 9.30266 numMergedOcc 0
51 mol 289 unq 0 iso 1 dist 5.59555 5.50067 5.39801 7.77225 3.96271 9.30266 numMergedOcc 0
52 mol 294 unq 0 iso 0 dist 8.87606 9.33755 8.56972 6.25334 9.32087 11.8335 numMergedOcc 0
53 mol 294 unq 0 iso 1 dist 8.87606 6.25334 9.32087 9.33755 8.56972 11.8335 numMergedOcc 0
