0 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 5.23547 6.859 4.10106 10.2486 6.86684 4.61088 6.54358 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.19544 7.63656 7.07399 5.61111 6.23015 5.49251 8.72187 4.29582 8.38064 9.84471 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 7.4999 7.58739 11.3019 9.01612 10.2049 6.86465 15.888 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 7.4999 7.58739 11.3019 6.36193 9.95364 6.62496 13.813 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 5.84625 5.40367 8.80614 7.4999 7.58739 11.3019 4.88613 5.49591 6.35756 11.2189 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 5.84625 5.40367 8.80614 4.99692 9.01564 9.87158 9.01612 10.2049 6.86465 13.3281 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 5.84625 5.40367 8.80614 4.99692 9.01564 9.87158 6.36193 9.95364 6.62496 9.22598 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 5.84625 5.40367 8.80614 4.99692 9.01564 9.87158 4.88613 5.49591 6.35756 8.96727 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 5.84625 5.40367 8.80614 3.70586 7.11065 5.86526 9.01612 10.2049 6.86465 11.5155 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 5.84625 5.40367 8.80614 3.70586 7.11065 5.86526 6.36193 9.95364 6.62496 9.55996 numMergedOcc 0
10 mol 58 unq 8 iso 0 dist 5.84625 5.40367 8.80614 3.70586 7.11065 5.86526 4.88613 5.49591 6.35756 8.01308 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 6.94677 8.42799 9.25641 5.63031 8.60069 8.89519 14.5113 13.5488 6.65721 15.4215 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.66068 16.3524 8.8822 8.60362 9.30645 13.9729 15.1632 10.1816 5.86073 15.7535 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.34823 5.3154 6.73586 5.92411 8.67537 4.39676 6.18763 5.13589 6.18601 8.95212 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 9.86988 7.59962 7.58957 4.45029 6.34626 6.28232 13.8631 5.68211 9.61051 11.3039 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 9.86988 7.59962 7.58957 4.45029 6.34626 6.28232 12.5845 10.5488 5.83384 11.7541 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.04845 14.5617 6.16242 5.68827 8.83732 13.0405 11.3707 4.54648 6.29155 8.77023 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 9.04845 13.7612 5.87634 5.68827 8.83732 13.7612 11.3707 4.54648 6.80239 8.77023 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 7.94325 11.4104 6.16242 10.124 8.83732 13.0405 11.8159 4.54648 6.29155 8.77023 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 7.94325 12.9605 5.87634 10.124 8.83732 13.7612 11.8159 4.54648 6.80239 8.77023 numMergedOcc 0
20 mol 133 unq 4 iso 0 dist 6.72323 10.2385 6.16242 11.5628 8.83732 13.0405 5.82404 4.54648 6.29155 8.77023 numMergedOcc 0
21 mol 133 unq 5 iso 0 dist 6.72323 4.64588 5.87634 11.5628 8.83732 13.7612 5.82404 4.54648 6.80239 8.77023 numMergedOcc 0
22 mol 170 unq 0 iso 0 dist 9.53158 7.71028 6.35982 10.2179 6.47164 4.78249 13.6682 4.34698 9.76807 9.51256 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 7.62237 9.88897 6.28125 11.5719 8.04639 8.03334 10.0802 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.07527 9.32503 5.9176 9.00952 8.12266 10.6474 12.06 5.63555 7.63312 6.64173 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 9.07527 9.32503 5.9176 8.32063 9.43306 5.12833 12.06 5.63555 7.63312 9.55105 numMergedOcc 0
26 mol 181 unq 3 iso 0 dist 9.07527 9.32503 5.9176 7.88733 8.59681 4.61184 12.06 5.63555 7.63312 11.7785 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 5.89818 4.82768 7.67576 4.91709 8.43195 6.84862 10.8522 10.3151 8.01589 14.4477 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 5.89818 4.82768 7.67576 4.91709 8.43195 6.84862 10.0664 7.81022 7.7699 10.0233 numMergedOcc 0
29 mol 222 unq 2 iso 0 dist 5.89818 4.82768 7.67576 4.91709 8.43195 6.84862 7.85877 7.75656 7.21333 5.56538 numMergedOcc 0
30 mol 222 unq 3 iso 0 dist 5.89818 4.82768 7.67576 5.96186 8.23406 9.53117 10.8522 10.3151 8.01589 16.3082 numMergedOcc 0
31 mol 222 unq 4 iso 0 dist 5.89818 4.82768 7.67576 5.96186 8.23406 9.53117 10.0664 7.81022 7.7699 11.839 numMergedOcc 0
32 mol 222 unq 5 iso 0 dist 5.89818 4.82768 7.67576 5.96186 8.23406 9.53117 7.85877 7.75656 7.21333 7.48954 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 6.54593 6.59036 5.42461 9.29752 8.80479 8.27212 10.3021 numMergedOcc 0
