0 mol 26 unq 0 iso 0 dist 5.69955 9.78225 8.6385 8.25132 6.73167 7.73394 10.177 5.30297 7.36856 6.07276 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.6385 9.78225 5.69955 7.73394 6.73167 8.25132 7.36856 5.30297 10.177 6.07276 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 24.4789 15.8624 20.2792 9.19977 numMergedOcc 0
3 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 20.2792 15.8624 24.4789 9.19977 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 23.3751 14.7862 19.3357 7.28831 numMergedOcc 0
5 mol 93 unq 1 iso 1 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 19.3357 14.7862 23.3751 7.28831 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 18.2573 9.42916 16.6164 9.71411 numMergedOcc 0
7 mol 93 unq 2 iso 1 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 16.6164 9.42916 18.2573 9.71411 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 24.4789 15.8624 19.7304 9.19977 numMergedOcc 0
9 mol 93 unq 3 iso 1 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 19.7304 15.8624 24.4789 9.19977 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 23.3751 14.7862 17.211 7.28831 numMergedOcc 0
11 mol 93 unq 4 iso 1 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 17.211 14.7862 23.3751 7.28831 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 18.2573 9.42916 17.9577 9.71411 numMergedOcc 0
13 mol 93 unq 5 iso 1 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 17.9577 9.42916 18.2573 9.71411 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 20.2792 15.8624 19.7304 9.19977 numMergedOcc 0
15 mol 93 unq 3 iso 1 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 19.7304 15.8624 20.2792 9.19977 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 19.3357 14.7862 17.211 7.28831 numMergedOcc 0
17 mol 93 unq 4 iso 1 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 17.211 14.7862 19.3357 7.28831 numMergedOcc 0
18 mol 93 unq 5 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 16.6164 9.42916 17.9577 9.71411 numMergedOcc 0
19 mol 93 unq 5 iso 1 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 17.9577 9.42916 16.6164 9.71411 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 6.43433 5.0812 9.92283 10.5563 5.43933 12.6108 11.5768 5.91698 14.3677 7.67238 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 9.92283 5.0812 6.43433 12.6108 5.43933 10.5563 14.3677 5.91698 11.5768 7.67238 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 6.43433 5.0812 9.92283 6.75738 7.44041 5.43385 12.9739 15.0784 10.1861 8.72725 numMergedOcc 0
23 mol 112 unq 1 iso 1 dist 9.92283 5.0812 6.43433 5.43385 7.44041 6.75738 10.1861 15.0784 12.9739 8.72725 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 9.15431 7.58238 6.92648 4.57579 6.78801 8.57203 10.8571 5.66194 11.8964 7.75314 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 6.92648 7.58238 9.15431 8.57203 6.78801 4.57579 11.8964 5.66194 10.8571 7.75314 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 9.15431 13.2572 9.29384 4.57579 6.78801 12.6005 10.8571 5.66194 14.9021 7.75314 numMergedOcc 0
27 mol 131 unq 1 iso 1 dist 9.29384 13.2572 9.15431 12.6005 6.78801 4.57579 14.9021 5.66194 10.8571 7.75314 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 6.92648 6.63273 9.29384 8.57203 6.78801 12.6005 11.8964 5.66194 14.9021 7.75314 numMergedOcc 0
29 mol 131 unq 1 iso 1 dist 9.29384 6.63273 6.92648 12.6005 6.78801 8.57203 14.9021 5.66194 11.8964 7.75314 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 6.69515 6.21253 7.86572 13.2918 6.77921 13.4066 11.0743 5.38571 9.97343 6.65731 numMergedOcc 0
31 mol 141 unq 0 iso 1 dist 7.86572 6.21253 6.69515 13.4066 6.77921 13.2918 9.97343 5.38571 11.0743 6.65731 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 10.0756 5.53324 10.2793 8.65535 5.92931 12.0009 4.19371 numMergedOcc 0
33 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 10.2793 5.53324 10.0756 12.0009 5.92931 8.65535 4.19371 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 6.26839 8.0179 8.12346 11.8031 6.72182 9.09233 12.4952 7.50057 15.1649 9.00322 numMergedOcc 0
35 mol 194 unq 1 iso 1 dist 8.12346 8.0179 6.26839 9.09233 6.72182 11.8031 15.1649 7.50057 12.4952 9.00322 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 6.26839 14.6506 8.83356 10.0756 5.53324 10.463 8.65535 5.92931 12.645 4.19371 numMergedOcc 0
37 mol 194 unq 2 iso 1 dist 8.83356 14.6506 6.26839 10.463 5.53324 10.0756 12.645 5.92931 8.65535 4.19371 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 6.26839 14.6506 8.83356 11.8031 6.72182 4.66791 12.4952 7.50057 6.72379 9.00322 numMergedOcc 0
39 mol 194 unq 3 iso 1 dist 8.83356 14.6506 6.26839 4.66791 6.72182 11.8031 6.72379 7.50057 12.4952 9.00322 numMergedOcc 0
40 mol 194 unq 4 iso 0 dist 6.26839 8.48054 8.2654 10.0756 5.53324 12.8494 8.65535 5.92931 13.9101 4.19371 numMergedOcc 0
41 mol 194 unq 4 iso 1 dist 8.2654 8.48054 6.26839 12.8494 5.53324 10.0756 13.9101 5.92931 8.65535 4.19371 numMergedOcc 0
42 mol 194 unq 5 iso 0 dist 6.26839 8.48054 8.2654 11.8031 6.72182 7.73551 12.4952 7.50057 13.2138 9.00322 numMergedOcc 0
43 mol 194 unq 5 iso 1 dist 8.2654 8.48054 6.26839 7.73551 6.72182 11.8031 13.2138 7.50057 12.4952 9.00322 numMergedOcc 0
44 mol 194 unq 2 iso 0 dist 8.12346 13.5632 8.83356 10.2793 5.53324 10.463 12.0009 5.92931 12.645 4.19371 numMergedOcc 0
45 mol 194 unq 2 iso 1 dist 8.83356 13.5632 8.12346 10.463 5.53324 10.2793 12.645 5.92931 12.0009 4.19371 numMergedOcc 0
46 mol 194 unq 3 iso 0 dist 8.12346 13.5632 8.83356 9.09233 6.72182 4.66791 15.1649 7.50057 6.72379 9.00322 numMergedOcc 0
47 mol 194 unq 3 iso 1 dist 8.83356 13.5632 8.12346 4.66791 6.72182 9.09233 6.72379 7.50057 15.1649 9.00322 numMergedOcc 0
48 mol 194 unq 4 iso 0 dist 8.12346 6.26298 8.2654 10.2793 5.53324 12.8494 12.0009 5.92931 13.9101 4.19371 numMergedOcc 0
49 mol 194 unq 4 iso 1 dist 8.2654 6.26298 8.12346 12.8494 5.53324 10.2793 13.9101 5.92931 12.0009 4.19371 numMergedOcc 0
50 mol 194 unq 5 iso 0 dist 8.12346 6.26298 8.2654 9.09233 6.72182 7.73551 15.1649 7.50057 13.2138 9.00322 numMergedOcc 0
51 mol 194 unq 5 iso 1 dist 8.2654 6.26298 8.12346 7.73551 6.72182 9.09233 13.2138 7.50057 15.1649 9.00322 numMergedOcc 0
52 mol 194 unq 4 iso 0 dist 8.83356 11.6097 8.2654 10.463 5.53324 12.8494 12.645 5.92931 13.9101 4.19371 numMergedOcc 0
53 mol 194 unq 4 iso 1 dist 8.2654 11.6097 8.83356 12.8494 5.53324 10.463 13.9101 5.92931 12.645 4.19371 numMergedOcc 0
54 mol 194 unq 5 iso 0 dist 8.83356 11.6097 8.2654 4.66791 6.72182 7.73551 6.72379 7.50057 13.2138 9.00322 numMergedOcc 0
55 mol 194 unq 5 iso 1 dist 8.2654 11.6097 8.83356 7.73551 6.72182 4.66791 13.2138 7.50057 6.72379 9.00322 numMergedOcc 0
56 mol 195 unq 0 iso 0 dist 6.60567 10.7531 7.62942 5.41635 6.34234 6.04871 7.36683 6.0634 9.26504 6.22742 numMergedOcc 0
57 mol 195 unq 0 iso 1 dist 7.62942 10.7531 6.60567 6.04871 6.34234 5.41635 9.26504 6.0634 7.36683 6.22742 numMergedOcc 0
58 mol 195 unq 1 iso 0 dist 6.60567 10.7531 7.62942 11.9954 7.87972 8.04534 17.8873 11.4252 11.9628 9.24936 numMergedOcc 0
59 mol 195 unq 1 iso 1 dist 7.62942 10.7531 6.60567 8.04534 7.87972 11.9954 11.9628 11.4252 17.8873 9.24936 numMergedOcc 0
60 mol 212 unq 0 iso 0 dist 8.57827 4.12932 6.29767 6.47488 5.50658 3.9436 11.8495 12.8059 8.69988 9.10288 numMergedOcc 0
61 mol 212 unq 0 iso 1 dist 6.29767 4.12932 8.57827 3.9436 5.50658 6.47488 8.69988 12.8059 11.8495 9.10288 numMergedOcc 0
62 mol 212 unq 1 iso 0 dist 8.57827 4.12932 6.29767 6.47488 5.50658 3.9436 11.3832 10.7914 8.55903 6.19798 numMergedOcc 0
63 mol 212 unq 1 iso 1 dist 6.29767 4.12932 8.57827 3.9436 5.50658 6.47488 8.55903 10.7914 11.3832 6.19798 numMergedOcc 0
64 mol 212 unq 2 iso 0 dist 8.57827 4.12932 6.29767 6.47488 5.50658 3.9436 13.5692 10.2513 10.6618 7.24895 numMergedOcc 0
65 mol 212 unq 2 iso 1 dist 6.29767 4.12932 8.57827 3.9436 5.50658 6.47488 10.6618 10.2513 13.5692 7.24895 numMergedOcc 0
66 mol 252 unq 0 iso 0 dist 6.53679 6.0987 7.50201 5.6214 5.9974 7.40852 12.9597 12.0545 11.0831 8.09509 numMergedOcc 0
67 mol 252 unq 0 iso 1 dist 7.50201 6.0987 6.53679 7.40852 5.9974 5.6214 11.0831 12.0545 12.9597 8.09509 numMergedOcc 0
68 mol 279 unq 0 iso 0 dist 8.29305 6.67478 6.43341 8.70069 7.37478 4.14939 13.6219 5.89415 9.09855 8.98854 numMergedOcc 0
69 mol 279 unq 0 iso 1 dist 6.43341 6.67478 8.29305 4.14939 7.37478 8.70069 9.09855 5.89415 13.6219 8.98854 numMergedOcc 0
70 mol 279 unq 1 iso 0 dist 8.29305 6.67478 6.43341 8.70069 7.37478 4.14939 16.8274 15.1378 10.6879 9.42255 numMergedOcc 0
71 mol 279 unq 1 iso 1 dist 6.43341 6.67478 8.29305 4.14939 7.37478 8.70069 10.6879 15.1378 16.8274 9.42255 numMergedOcc 0
