0 mol 25 unq 0 iso 0 dist 7.63928 7.05148 5.82503 4.88495 7.99919 10.4755 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.36193 5.84625 9.95364 4.99692 9.22598 9.01564 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 4.88613 5.84625 5.49591 4.99692 8.96727 9.01564 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 4.88613 5.84625 5.49591 3.70586 8.01308 7.11065 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.1599 8.67162 10.0059 5.46563 6.9103 12.5091 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 8.1599 8.79114 10.4611 5.46563 6.9103 13.1416 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.99491 6.23138 6.21578 9.07673 9.86334 12.5444 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 5.47319 8.91502 5.83934 4.69809 5.99857 11.4374 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 9.8809 8.91502 14.3583 4.69809 6.9362 11.4374 numMergedOcc 0
9 mol 74 unq 0 iso 0 dist 9.99155 7.26263 8.1988 8.14688 7.93281 11.9224 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.58841 7.75211 4.3931 16.3337 9.85905 13.8179 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.65047 9.49995 11.4333 8.55456 9.3948 16.0499 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.65047 9.49995 11.4333 3.84879 9.74607 12.4483 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 5.17585 8.23777 5.76098 3.82552 4.22363 5.36587 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 7.53905 5.42828 5.76986 3.61827 9.05166 8.72725 numMergedOcc 0
15 mol 112 unq 2 iso 0 dist 7.53905 5.42828 5.76986 3.78964 5.56994 6.11407 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.18763 9.34823 5.13589 5.92411 8.95212 8.67537 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.44385 9.34823 10.8661 5.92411 6.99446 8.67537 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 5.63005 9.34823 12.0175 5.92411 7.64052 8.67537 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 5.82404 6.72323 4.54648 11.5628 8.77023 8.83732 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 6.23399 5.60184 7.51976 5.18463 8.33439 8.71789 numMergedOcc 0
21 mol 154 unq 1 iso 0 dist 6.23399 8.86862 5.02794 5.18463 8.33439 9.37842 numMergedOcc 0
22 mol 154 unq 2 iso 0 dist 6.23399 7.08477 7.23684 5.18463 8.33439 5.2693 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.58911 5.66363 11.85 17.3349 8.59874 17.8171 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 8.10287 8.86587 14.0496 3.50446 8.4844 11.992 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 4.91709 5.56538 8.43195 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 7.85877 5.89818 7.75656 5.96186 7.48954 8.23406 numMergedOcc 0
27 mol 222 unq 2 iso 0 dist 7.85877 9.32543 16.0949 4.91709 5.56538 14.0832 numMergedOcc 0
28 mol 222 unq 3 iso 0 dist 7.85877 9.32543 16.0949 5.96186 7.48954 14.9425 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 9.83721 8.4302 5.754 14.007 7.81897 13.2103 numMergedOcc 0
30 mol 267 unq 0 iso 0 dist 9.62043 9.80577 8.37094 8.3484 7.34981 6.27154 numMergedOcc 0
