0 mol 55 unq 0 iso 0 dist 5.12277 5.7638 4.19247 6.58179 5.32648 5.44338 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 5.12277 8.55679 6.83997 6.58179 5.32648 10.6068 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.24768 7.92027 10.469 9.1926 3.66673 12.8256 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 7.91009 8.68497 16.288 4.95504 3.3881 12.9904 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 4.39121 8.68497 9.99934 4.95504 3.93741 12.9904 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.52742 9.66549 13.8964 8.15861 7.14242 13.2781 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.52742 9.66549 13.8964 9.27814 15.6495 7.41484 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.42914 7.62621 4.23238 7.09177 6.21311 8.88997 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.17327 7.62621 6.31416 7.09177 7.17072 8.88997 numMergedOcc 0
9 mol 91 unq 2 iso 0 dist 9.52936 7.62621 4.23182 7.09177 10.0233 8.88997 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 5.27541 8.84466 8.74935 8.61597 13.113 14.4533 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 5.27541 9.2948 13.5058 8.61597 13.113 3.24551 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 6.89038 9.01153 8.61895 8.95766 4.81353 5.50138 numMergedOcc 0
13 mol 96 unq 1 iso 0 dist 6.89038 9.01153 8.61895 8.6548 6.0108 9.52825 numMergedOcc 0
14 mol 104 unq 0 iso 0 dist 9.71834 7.45407 5.23957 9.58427 4.07581 3.41728 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 9.45085 4.87856 6.71387 6.40989 5.26338 6.93445 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 7.24083 8.48985 3.89739 9.01881 11.7364 13.2981 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 6.28379 6.01193 6.63414 6.45095 5.74821 8.15592 numMergedOcc 0
18 mol 233 unq 1 iso 0 dist 9.29279 6.01193 6.16699 6.45095 11.8995 8.15592 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 9.74822 8.28068 7.85589 7.17276 9.8348 6.35533 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 5.06731 8.19213 4.22529 8.15636 6.00938 8.78444 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 5.06731 8.19213 4.22529 7.86292 4.88961 3.7428 numMergedOcc 0
22 mol 287 unq 2 iso 0 dist 5.06731 5.80664 8.19487 8.15636 6.00938 12.0542 numMergedOcc 0
23 mol 287 unq 3 iso 0 dist 5.06731 5.80664 8.19487 7.86292 4.88961 8.10528 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 5.06731 8.19213 4.22529 8.15636 6.00938 8.78444 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 5.06731 8.19213 4.22529 7.86292 4.88961 3.7428 numMergedOcc 0
26 mol 288 unq 2 iso 0 dist 5.06731 5.80664 8.19487 8.15636 6.00938 12.0542 numMergedOcc 0
27 mol 288 unq 3 iso 0 dist 5.06731 5.80664 8.19487 7.86292 4.88961 8.10528 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 5.06731 8.19213 4.22529 8.15636 6.00938 8.78444 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 5.06731 8.19213 4.22529 7.86292 4.88961 3.7428 numMergedOcc 0
30 mol 289 unq 2 iso 0 dist 5.06731 5.80664 8.19487 8.15636 6.00938 12.0542 numMergedOcc 0
31 mol 289 unq 3 iso 0 dist 5.06731 5.80664 8.19487 7.86292 4.88961 8.10528 numMergedOcc 0
