0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 4.10106 6.54358 6.859 8.05213 12.2274 8.73067 9.58844 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.03987 6.85556 5.68392 5.86705 7.6114 6.29797 5.09159 10.7177 9.62401 6.25564 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 13.9007 16.3613 7.6481 10.7557 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 6.47744 11.5023 9.11258 14.6599 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 9.87158 8.96727 9.01564 13.9007 12.7237 7.6481 10.7557 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 6.35756 8.80614 5.49591 9.87158 8.96727 9.01564 6.47744 8.89374 9.11258 14.6599 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 6.35756 8.80614 5.49591 5.86526 8.01308 7.11065 13.9007 12.7237 7.6481 9.1083 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 6.35756 8.80614 5.49591 5.86526 8.01308 7.11065 6.47744 8.89374 9.11258 9.47022 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 5.70116 9.73086 6.14542 7.41074 8.70133 7.10439 6.15714 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 6.20232 8.68662 8.96616 7.41074 4.65521 7.10439 6.10063 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.19304 9.24757 6.56633 5.70116 7.4369 6.14542 7.41074 4.65521 7.10439 6.15714 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 5.3585 11.2292 8.55616 9.48887 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 5.41704 8.79571 8.73604 5.67107 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 5.3585 10.9613 8.55616 9.48887 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 5.41704 5.42582 8.73604 5.67107 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 6.74887 11.2292 8.55616 9.48887 numMergedOcc 0
16 mol 134 unq 5 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 6.17103 8.79571 8.73604 5.67107 numMergedOcc 0
17 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 6.74887 10.9613 8.55616 9.48887 numMergedOcc 0
18 mol 134 unq 7 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 6.17103 5.42582 8.73604 5.67107 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 4.78563 5.37047 5.06564 10.0989 9.60643 6.97487 5.43382 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.99315 7.78652 6.48978 4.78563 5.37047 5.06564 6.01455 9.27292 6.46089 4.38322 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 6.43582 7.92304 5.50031 4.91785 8.97626 9.16358 6.34186 7.51198 9.80845 4.48516 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.63312 5.9176 5.63555 10.6474 6.64173 8.12266 9.60512 7.98142 5.97685 4.48306 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.63312 5.9176 5.63555 10.6474 6.64173 8.12266 13.3389 7.37327 8.9289 4.88823 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 7.63312 5.9176 5.63555 5.12833 9.55105 9.43306 9.60512 7.98142 5.97685 10.2172 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 5.12833 9.55105 9.43306 13.3389 7.37327 8.9289 14.2334 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 7.22101 5.41321 10.9607 5.0317 5.23634 8.91971 6.43754 8.17891 7.57454 4.09934 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 6.43754 6.95902 7.57454 4.09934 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 5.10213 6.71524 9.9183 13.5597 11.4727 7.17337 14.5281 numMergedOcc 0
