0 mol 11 unq 0 iso 0 dist 9.52695 5.23547 6.859 10.2486 6.86684 6.54358 5.8961 5.96346 4.10106 4.61088 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 5.84625 4.99692 9.01564 6.36193 9.95364 9.22598 5.40367 8.80614 9.87158 6.62496 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 5.84625 4.99692 9.01564 4.88613 5.49591 8.96727 5.40367 8.80614 9.87158 6.35756 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 5.84625 3.70586 7.11065 4.88613 5.49591 8.01308 5.40367 8.80614 5.86526 6.35756 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.59552 5.92795 6.59716 12.5764 13.9524 9.36001 11.104 9.75237 5.31547 9.64443 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 5.59552 10.2656 6.87506 13.6688 9.44576 7.06939 11.104 9.75237 4.3481 9.33898 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.34823 5.92411 8.67537 6.18763 5.13589 8.95212 5.3154 6.73586 4.39676 6.18601 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.34823 5.92411 8.67537 8.44385 10.8661 6.99446 12.1192 11.5311 6.20019 9.87172 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 9.34823 5.92411 8.67537 5.63005 12.0175 7.64052 10.5268 17.8739 9.68677 8.73993 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.86988 4.45029 6.34626 9.46892 4.92472 5.51197 16.2286 12.0256 12.1739 8.54584 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.04845 5.68827 8.83732 11.3707 4.54648 8.77023 14.5617 6.16242 13.0405 6.29155 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.04845 5.68827 8.83732 11.3707 4.54648 8.77023 13.7612 5.87634 13.7612 6.80239 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 9.04845 5.68827 8.83732 11.3707 4.54648 8.77023 17.145 10.9061 15.0115 8.00618 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 7.94325 10.124 8.83732 11.8159 4.54648 8.77023 11.4104 6.16242 13.0405 6.29155 numMergedOcc 0
14 mol 133 unq 4 iso 0 dist 7.94325 10.124 8.83732 11.8159 4.54648 8.77023 12.9605 5.87634 13.7612 6.80239 numMergedOcc 0
15 mol 133 unq 5 iso 0 dist 7.94325 10.124 8.83732 11.8159 4.54648 8.77023 18.7538 10.9061 15.0115 8.00618 numMergedOcc 0
16 mol 133 unq 6 iso 0 dist 6.72323 11.5628 8.83732 5.82404 4.54648 8.77023 10.2385 6.16242 13.0405 6.29155 numMergedOcc 0
17 mol 133 unq 7 iso 0 dist 6.72323 11.5628 8.83732 5.82404 4.54648 8.77023 4.64588 5.87634 13.7612 6.80239 numMergedOcc 0
18 mol 133 unq 8 iso 0 dist 6.72323 11.5628 8.83732 5.82404 4.54648 8.77023 5.37072 10.9061 15.0115 8.00618 numMergedOcc 0
19 mol 170 unq 0 iso 0 dist 9.53158 10.2179 6.47164 13.6682 4.34698 9.51256 7.71028 6.35982 4.78249 9.76807 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.07527 9.00952 8.12266 12.06 5.63555 6.64173 10.3339 10.4943 6.8757 7.81386 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 9.07527 9.00952 8.12266 12.06 5.63555 6.64173 9.32503 5.9176 10.6474 7.63312 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 9.07527 8.32063 9.43306 12.06 5.63555 9.55105 10.3339 10.4943 5.83796 7.81386 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 9.07527 8.32063 9.43306 12.06 5.63555 9.55105 9.32503 5.9176 5.12833 7.63312 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 5.89818 4.91709 8.43195 7.85877 7.75656 5.56538 4.82768 7.67576 6.84862 7.21333 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 5.89818 5.96186 8.23406 7.85877 7.75656 7.48954 4.82768 7.67576 9.53117 7.21333 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 6.38341 5.19474 6.35532 10.1523 4.60101 9.59325 15.7613 11.6152 12.2939 9.01049 numMergedOcc 0
