0 mol 0 unq 0 iso 0 dist 9.42137 7.31837 5.24778 11.6896 9.6994 11.2072 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 7.31837 5.24778 14.5258 7.15528 11.2263 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.95165 7.95811 9.62262 3.77561 4.61088 10.604 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 5.59268 7.17969 7.92503 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.87281 7.05148 5.64303 6.17631 7.31767 8.6653 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 7.63928 7.05148 5.82503 6.17631 6.03987 8.6653 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.7522 8.99751 10.797 15.0931 8.34347 18.8417 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 9.7522 9.44507 10.9837 15.0931 8.34347 18.1487 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.97635 4.38047 4.29856 10.7219 9.5589 10.6808 numMergedOcc 0
9 mol 54 unq 1 iso 0 dist 5.97635 4.38047 4.29856 6.76462 6.83299 6.14538 numMergedOcc 0
10 mol 54 unq 2 iso 0 dist 5.97635 4.38047 4.29856 13.2619 8.10861 10.4158 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.36193 5.84625 9.95364 5.40367 6.62496 8.80614 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 4.88613 5.84625 5.49591 5.40367 6.35756 8.80614 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 8.99491 6.23138 6.21578 4.96726 9.67592 9.97159 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.65047 9.49995 11.4333 5.33325 7.27724 12.1092 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 4.75138 5.08437 13.8815 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.9747 9.25249 14.3413 10.4417 6.48948 17.8091 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 5.9747 9.25249 14.3413 11.3628 6.10456 19.9118 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 7.15985 5.42828 5.39346 6.68714 9.60462 10.1861 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 7.15985 5.42828 5.39346 6.71889 7.45389 10.15 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 6.59772 6.11741 11.0224 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 4.98864 6.66022 5.22052 10.9437 7.88312 12.13 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 6.18763 9.34823 5.13589 5.3154 6.18601 6.73586 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.44385 9.34823 10.8661 12.1192 9.87172 11.5311 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 5.63005 9.34823 12.0175 10.5268 8.73993 17.8739 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 7.04864 8.73484 8.2619 4.5543 8.75408 11.9051 numMergedOcc 0
27 mol 120 unq 1 iso 0 dist 7.04864 8.73484 8.2619 6.81949 6.44653 13.082 numMergedOcc 0
28 mol 126 unq 0 iso 0 dist 8.32241 8.97111 6.0268 4.84035 6.06638 6.30546 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 9.50322 6.72323 12.538 5.37072 7.11802 10.9061 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 5.82404 6.72323 4.54648 10.2385 6.29155 6.16242 numMergedOcc 0
31 mol 133 unq 2 iso 0 dist 5.82404 6.72323 4.54648 4.64588 6.80239 5.87634 numMergedOcc 0
32 mol 133 unq 3 iso 0 dist 5.82404 6.72323 4.54648 5.37072 8.00618 10.9061 numMergedOcc 0
33 mol 133 unq 4 iso 0 dist 5.86531 6.42904 5.92062 6.26797 7.11802 9.22661 numMergedOcc 0
34 mol 133 unq 5 iso 0 dist 5.86531 6.42904 5.92062 9.73435 8.00618 13.5028 numMergedOcc 0
35 mol 205 unq 0 iso 0 dist 6.752 7.23557 5.8535 4.2475 7.45763 4.8668 numMergedOcc 0
36 mol 205 unq 1 iso 0 dist 5.4913 8.86587 5.8535 6.8901 7.45763 4.8668 numMergedOcc 0
37 mol 206 unq 0 iso 0 dist 7.42904 9.7402 4.62682 9.96254 7.7366 11.6096 numMergedOcc 0
38 mol 210 unq 0 iso 0 dist 8.62103 9.26092 10.4168 3.84723 6.18308 11.18 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 4.82768 7.21333 7.67576 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 7.85877 9.32543 16.0949 4.82768 7.21333 9.82371 numMergedOcc 0
41 mol 232 unq 0 iso 0 dist 9.29752 9.41148 12.5452 9.60401 8.27212 13.7227 numMergedOcc 0
42 mol 232 unq 1 iso 0 dist 9.29752 7.83422 8.80479 9.60401 8.27212 9.05071 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 6.11137 8.37813 9.52712 15.1664 9.99038 17.3964 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 6.11137 8.37813 9.52712 9.01197 6.27581 12.6259 numMergedOcc 0
45 mol 236 unq 2 iso 0 dist 6.11137 9.25988 4.79879 15.1664 9.99038 10.9744 numMergedOcc 0
46 mol 236 unq 3 iso 0 dist 6.11137 9.25988 4.79879 9.01197 6.27581 9.73914 numMergedOcc 0
47 mol 253 unq 0 iso 0 dist 7.15815 9.69704 5.78064 4.93871 9.02271 13.07 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 5.73834 8.63176 5.63675 6.48867 6.60405 7.21311 numMergedOcc 0
49 mol 258 unq 1 iso 0 dist 5.73834 8.63176 5.63675 7.52881 6.42289 11.2102 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 8.19504 9.3201 5.00209 3.93713 6.24356 7.16853 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 9.71801 9.02071 6.20558 5.9882 7.56915 9.85289 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 9.30668 6.68863 7.15683 8.04474 8.2734 11.4575 numMergedOcc 0
