0 mol 10 unq 0 iso 0 dist 9.96463 4.94198 8.34543 3.97757 10.7415 8.28764 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.96463 9.62353 5.06302 3.97757 10.7415 9.41355 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.55415 7.17695 4.8515 3.92155 11.9747 8.93826 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.98353 8.79378 11.8315 10.9654 19.3858 9.7691 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.34078 8.69574 5.66067 14.4502 10.4432 9.34271 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.02034 8.48827 13.1307 3.93133 6.77808 8.03895 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 6.02034 7.14048 10.7383 3.93133 6.77808 5.68873 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 6.77808 8.03895 13.1307 3.93133 6.02034 8.48827 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 6.77808 5.68873 10.7383 3.93133 6.02034 7.14048 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.59382 6.04223 7.41773 12.0142 13.5703 7.29864 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.99537 5.48163 4.69684 6.46167 11.8411 7.7399 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.85651 4.82356 3.75786 7.57921 7.03858 8.83476 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.21256 8.22722 11.2135 10.5425 6.23615 8.52036 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 6.23615 8.52036 11.2135 10.5425 9.21256 8.22722 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 7.03858 8.83476 3.75786 7.57921 6.85651 4.82356 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 9.74969 6.12972 4.17025 8.79607 12.1171 9.98086 numMergedOcc 0
16 mol 151 unq 1 iso 0 dist 9.74969 6.12972 4.17025 6.82905 12.2405 8.89982 numMergedOcc 0
17 mol 180 unq 0 iso 0 dist 5.43774 7.58661 6.15473 5.33436 8.31061 5.81023 numMergedOcc 0
18 mol 180 unq 1 iso 0 dist 5.43774 7.58661 6.15473 6.10537 9.91767 7.80553 numMergedOcc 0
19 mol 180 unq 2 iso 0 dist 5.43774 6.53993 4.52794 5.33436 8.31061 8.4285 numMergedOcc 0
20 mol 180 unq 3 iso 0 dist 5.43774 6.53993 4.52794 6.10537 9.91767 8.39019 numMergedOcc 0
21 mol 180 unq 4 iso 0 dist 8.31061 5.81023 6.15473 5.33436 5.43774 7.58661 numMergedOcc 0
22 mol 180 unq 5 iso 0 dist 8.31061 5.81023 6.15473 3.984 9.91767 7.80553 numMergedOcc 0
23 mol 180 unq 6 iso 0 dist 8.31061 8.4285 4.52794 5.33436 5.43774 6.53993 numMergedOcc 0
24 mol 180 unq 7 iso 0 dist 8.31061 8.4285 4.52794 3.984 9.91767 8.39019 numMergedOcc 0
25 mol 183 unq 0 iso 0 dist 9.86506 9.61725 16.7354 3.75614 11.3395 7.16035 numMergedOcc 0
26 mol 183 unq 1 iso 0 dist 9.86506 9.61725 16.7354 12.8714 21.06 9.01531 numMergedOcc 0
27 mol 183 unq 2 iso 0 dist 9.86506 9.52042 13.683 3.75614 11.3395 6.2675 numMergedOcc 0
28 mol 183 unq 3 iso 0 dist 5.83335 7.16035 9.54202 3.75614 7.86724 9.61725 numMergedOcc 0
29 mol 183 unq 4 iso 0 dist 5.83335 7.16035 9.54202 9.96454 13.6633 9.01531 numMergedOcc 0
30 mol 183 unq 5 iso 0 dist 5.83335 6.2675 4.96829 3.75614 7.86724 9.52042 numMergedOcc 0
31 mol 183 unq 6 iso 0 dist 7.86724 9.61725 9.54202 3.75614 5.83335 7.16035 numMergedOcc 0
32 mol 183 unq 7 iso 0 dist 7.86724 9.61725 9.54202 12.8714 13.6633 9.01531 numMergedOcc 0
33 mol 183 unq 8 iso 0 dist 7.86724 9.52042 4.96829 3.75614 5.83335 6.2675 numMergedOcc 0
34 mol 183 unq 9 iso 0 dist 9.92635 7.16035 10.7786 3.75614 7.85507 9.61725 numMergedOcc 0
35 mol 183 unq 10 iso 0 dist 9.92635 7.16035 10.7786 9.96454 15.2398 9.01531 numMergedOcc 0
36 mol 183 unq 11 iso 0 dist 9.92635 6.2675 14.145 3.75614 7.85507 9.52042 numMergedOcc 0
37 mol 183 unq 12 iso 0 dist 7.85507 9.61725 10.7786 3.75614 9.92635 7.16035 numMergedOcc 0
38 mol 183 unq 13 iso 0 dist 7.85507 9.61725 10.7786 12.8714 15.2398 9.01531 numMergedOcc 0
39 mol 183 unq 14 iso 0 dist 7.85507 9.52042 14.145 3.75614 9.92635 6.2675 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 7.19213 8.49554 3.72258 3.78668 5.67196 8.29256 numMergedOcc 0
41 mol 204 unq 1 iso 0 dist 5.67196 8.29256 3.72258 3.78668 7.19213 8.49554 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 7.99525 9.25334 3.68934 4.19978 9.20965 9.38205 numMergedOcc 0
43 mol 232 unq 1 iso 0 dist 9.20965 9.38205 3.68934 4.19978 7.99525 9.25334 numMergedOcc 0
44 mol 232 unq 2 iso 0 dist 9.20965 8.32831 13.1614 15.8224 21.8812 9.4726 numMergedOcc 0
45 mol 232 unq 3 iso 0 dist 9.20965 8.32831 13.1614 5.14994 12.3473 7.91213 numMergedOcc 0
46 mol 232 unq 4 iso 0 dist 9.20965 8.32831 13.1614 10.8055 15.645 9.33969 numMergedOcc 0
47 mol 232 unq 5 iso 0 dist 6.11539 8.54126 3.79439 9.60695 9.71082 7.64079 numMergedOcc 0
48 mol 232 unq 6 iso 0 dist 9.71082 9.33969 13.4178 9.9868 16.8576 9.4726 numMergedOcc 0
49 mol 232 unq 7 iso 0 dist 9.71082 9.33969 13.4178 10.8055 14.8733 8.32831 numMergedOcc 0
50 mol 232 unq 8 iso 0 dist 9.71082 9.33969 13.4178 6.05049 12.6677 7.91213 numMergedOcc 0
51 mol 232 unq 9 iso 0 dist 9.71082 7.64079 3.79439 9.60695 6.11539 8.54126 numMergedOcc 0
52 mol 269 unq 0 iso 0 dist 7.97206 6.72096 4.41005 9.73015 7.1068 9.18157 numMergedOcc 0
53 mol 269 unq 1 iso 0 dist 7.1068 9.18157 4.41005 9.73015 7.97206 6.72096 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 7.10723 9.22665 3.76721 9.41086 6.8664 9.84708 numMergedOcc 0
55 mol 280 unq 1 iso 0 dist 8.01368 9.22665 8.33181 9.41086 15.1358 9.84708 numMergedOcc 0
56 mol 280 unq 2 iso 0 dist 6.8664 9.84708 3.76721 9.41086 7.10723 9.22665 numMergedOcc 0
