0 mol 25 unq 0 iso 0 dist 8.88413 9.87281 10.8648 7.05148 5.30154 5.64303 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 9.87281 8.88413 10.8648 7.05148 5.64303 5.30154 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.88413 7.63928 10.2779 7.05148 5.30154 5.82503 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 7.63928 8.88413 10.2779 7.05148 5.82503 5.30154 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.87281 7.63928 4.51512 7.05148 5.64303 5.82503 numMergedOcc 0
5 mol 25 unq 1 iso 1 dist 7.63928 9.87281 4.51512 7.05148 5.82503 5.64303 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 5.84625 9.95364 5.49591 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 4.88613 6.36193 4.81926 5.84625 5.49591 9.95364 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 5.47319 9.8809 8.99811 8.91502 5.83934 14.3583 numMergedOcc 0
9 mol 69 unq 0 iso 1 dist 9.8809 5.47319 8.99811 8.91502 14.3583 5.83934 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.4545 7.01176 5.04493 5.62309 8.70803 8.87994 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 7.01176 8.4545 5.04493 5.62309 8.87994 8.70803 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.4545 7.01176 5.04493 7.11438 9.52327 11.641 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 7.01176 8.4545 5.04493 7.11438 11.641 9.52327 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.69069 9.65047 15.3836 9.49995 6.71199 11.4333 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 9.65047 8.69069 15.3836 9.49995 11.4333 6.71199 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.53905 7.15985 10.838 5.42828 5.76986 5.39346 numMergedOcc 0
17 mol 112 unq 0 iso 1 dist 7.15985 7.53905 10.838 5.42828 5.39346 5.76986 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.91337 6.40546 8.61848 8.4733 5.92984 7.45148 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 6.40546 7.91337 8.61848 8.4733 7.45148 5.92984 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.82535 6.18763 4.72062 9.34823 6.09547 5.13589 numMergedOcc 0
21 mol 119 unq 1 iso 1 dist 6.18763 8.82535 4.72062 9.34823 5.13589 6.09547 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 8.82535 8.44385 10.0278 9.34823 6.09547 10.8661 numMergedOcc 0
23 mol 119 unq 2 iso 1 dist 8.44385 8.82535 10.0278 9.34823 10.8661 6.09547 numMergedOcc 0
24 mol 119 unq 3 iso 0 dist 8.82535 5.63005 9.93385 9.34823 6.09547 12.0175 numMergedOcc 0
25 mol 119 unq 3 iso 1 dist 5.63005 8.82535 9.93385 9.34823 12.0175 6.09547 numMergedOcc 0
26 mol 119 unq 2 iso 0 dist 6.18763 8.44385 10.9871 9.34823 5.13589 10.8661 numMergedOcc 0
27 mol 119 unq 2 iso 1 dist 8.44385 6.18763 10.9871 9.34823 10.8661 5.13589 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 6.18763 5.63005 9.93257 9.34823 5.13589 12.0175 numMergedOcc 0
29 mol 119 unq 3 iso 1 dist 5.63005 6.18763 9.93257 9.34823 12.0175 5.13589 numMergedOcc 0
30 mol 119 unq 3 iso 0 dist 8.44385 5.63005 4.85907 9.34823 10.8661 12.0175 numMergedOcc 0
31 mol 119 unq 3 iso 1 dist 5.63005 8.44385 4.85907 9.34823 12.0175 10.8661 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 9.50322 5.82404 8.18495 6.72323 12.538 4.54648 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 5.82404 9.50322 8.18495 6.72323 4.54648 12.538 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 8.10287 5.4913 9.33648 8.86587 14.0496 5.8535 numMergedOcc 0
35 mol 205 unq 0 iso 1 dist 5.4913 8.10287 9.33648 8.86587 5.8535 14.0496 numMergedOcc 0
36 mol 206 unq 0 iso 0 dist 9.11298 7.42904 7.73294 9.7402 4.51687 4.62682 numMergedOcc 0
37 mol 206 unq 0 iso 1 dist 7.42904 9.11298 7.73294 9.7402 4.62682 4.51687 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.70279 9.29752 6.56633 9.41148 6.2188 12.5452 numMergedOcc 0
39 mol 232 unq 0 iso 1 dist 9.29752 7.70279 6.56633 9.41148 12.5452 6.2188 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 7.70279 9.29752 6.56633 7.83422 12.3508 8.80479 numMergedOcc 0
41 mol 232 unq 1 iso 1 dist 9.29752 7.70279 6.56633 7.83422 8.80479 12.3508 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 6.11137 7.89744 6.59448 8.37813 9.52712 14.1812 numMergedOcc 0
43 mol 236 unq 0 iso 1 dist 7.89744 6.11137 6.59448 8.37813 14.1812 9.52712 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 6.11137 7.89744 6.59448 9.25988 4.79879 4.32284 numMergedOcc 0
45 mol 236 unq 1 iso 1 dist 7.89744 6.11137 6.59448 9.25988 4.32284 4.79879 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 6.55855 9.52894 6.828 9.11072 6.16703 6.40141 numMergedOcc 0
47 mol 274 unq 0 iso 1 dist 9.52894 6.55855 6.828 9.11072 6.40141 6.16703 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 6.55855 9.52894 6.828 6.83113 5.64601 10.5941 numMergedOcc 0
49 mol 274 unq 1 iso 1 dist 9.52894 6.55855 6.828 6.83113 10.5941 5.64601 numMergedOcc 0
50 mol 274 unq 2 iso 0 dist 6.55855 9.52894 6.828 9.44134 6.52035 5.71192 numMergedOcc 0
51 mol 274 unq 2 iso 1 dist 9.52894 6.55855 6.828 9.44134 5.71192 6.52035 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 9.64124 9.30668 5.4956 6.68863 4.24885 7.15683 numMergedOcc 0
53 mol 292 unq 0 iso 1 dist 9.30668 9.64124 5.4956 6.68863 7.15683 4.24885 numMergedOcc 0
