0 mol 11 unq 0 iso 0 dist 9.52695 5.23547 6.859 10.2486 6.86684 6.54358 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.19544 5.61111 6.23015 13.2865 10.1154 8.85174 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.17217 6.0606 6.81793 11.6462 6.04762 9.12845 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 5.84625 4.99692 9.01564 6.36193 9.95364 9.22598 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.84625 4.99692 9.01564 4.88613 5.49591 8.96727 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 5.84625 3.70586 7.11065 4.88613 5.49591 8.01308 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.59552 5.92795 6.59716 12.5764 13.9524 9.36001 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 5.59552 10.2656 6.87506 13.6688 9.44576 7.06939 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 8.23777 3.82552 5.36587 10.5503 7.64054 7.7988 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 8.23777 3.82552 5.36587 10.5069 10.9474 9.40824 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 8.23777 3.82552 5.36587 5.17585 5.76098 4.22363 numMergedOcc 0
11 mol 112 unq 3 iso 0 dist 5.42828 3.61827 8.72725 7.53905 5.76986 9.05166 numMergedOcc 0
12 mol 112 unq 4 iso 0 dist 5.42828 3.78964 6.11407 7.53905 5.76986 5.56994 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.34823 5.92411 8.67537 6.18763 5.13589 8.95212 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.34823 5.92411 8.67537 8.44385 10.8661 6.99446 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 9.34823 5.92411 8.67537 5.63005 12.0175 7.64052 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.86988 4.45029 6.34626 9.46892 4.92472 5.51197 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.04845 5.68827 8.83732 11.3707 4.54648 8.77023 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 7.94325 10.124 8.83732 11.8159 4.54648 8.77023 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 6.72323 11.5628 8.83732 5.82404 4.54648 8.77023 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 5.49198 5.19373 7.83568 10.1983 6.98221 9.10524 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 5.49198 5.19373 7.83568 13.3013 14.2198 9.00918 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 5.60184 5.18463 8.71789 6.23399 7.51976 8.33439 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 7.08477 5.18463 5.2693 6.23399 7.23684 8.33439 numMergedOcc 0
24 mol 170 unq 0 iso 0 dist 9.53158 10.2179 6.47164 17.3351 9.275 9.08274 numMergedOcc 0
25 mol 170 unq 1 iso 0 dist 9.53158 10.2179 6.47164 13.6682 4.34698 9.51256 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 9.07527 9.00952 8.12266 12.06 5.63555 6.64173 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 9.07527 8.32063 9.43306 12.06 5.63555 9.55105 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 5.89818 4.91709 8.43195 7.85877 7.75656 5.56538 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 5.89818 5.96186 8.23406 7.85877 7.75656 7.48954 numMergedOcc 0
30 mol 267 unq 0 iso 0 dist 9.80577 8.3484 6.27154 14.5482 9.14203 8.8293 numMergedOcc 0
31 mol 267 unq 1 iso 0 dist 9.80577 8.3484 6.27154 9.62043 8.37094 7.34981 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 6.38341 5.19474 6.35532 10.1523 4.60101 9.59325 numMergedOcc 0
33 mol 273 unq 1 iso 0 dist 9.78826 13.255 5.61969 16.1263 7.81483 6.31969 numMergedOcc 0
