0 mol 9 unq 0 iso 0 dist 7.2199 6.9513 6.27573 10.4204 8.04924 13.1647 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.2199 9.16116 11.1737 10.4204 8.04924 16.2486 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.2199 8.47109 10.9842 10.4204 8.04924 14.0657 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.2199 9.29529 5.80437 6.81435 9.82483 10.4906 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 8.47109 7.2199 10.9842 4.71922 7.25684 11.1419 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 8.47109 6.9513 12.6338 4.71922 7.25684 11.4832 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 8.47109 9.16116 16.406 4.71922 7.25684 13.0483 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 8.13782 8.59109 14.5783 4.52443 7.95778 12.5773 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.96494 6.50297 6.44201 5.60902 7.93481 11.0854 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.86739 8.39249 7.68699 8.36453 8.06525 11.9332 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.86739 8.93623 11.9022 8.36453 8.06525 15.1774 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 9.86739 9.49413 12.0339 7.70536 8.11094 14.8762 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 6.17451 6.85195 4.8814 4.78434 7.78247 10.7 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 6.17451 6.85195 4.8814 10.7667 7.37935 10.2818 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.75834 9.36396 15.6443 7.15437 5.13453 15.3726 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 8.75834 9.36396 15.6443 15.2958 7.95883 21.7819 numMergedOcc 0
16 mol 225 unq 2 iso 0 dist 7.51827 8.75834 14.0478 8.99405 7.29542 12.5533 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 7.95168 6.152 8.55671 5.95112 7.1372 10.841 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 9.6101 8.49841 10.9755 9.66782 9.06084 15.3456 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.65088 6.5772 5.44694 5.8041 7.47235 10.3116 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 6.65088 8.70193 10.6286 5.8041 7.47235 14.2657 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 6.65088 6.17025 10.1756 5.8041 7.47235 6.44735 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 6.65088 9.0378 13.0634 5.8041 7.47235 5.91208 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 6.5772 6.65088 5.44694 5.88491 7.61203 11.0295 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 6.5772 8.70193 6.32518 5.88491 7.61203 6.92409 numMergedOcc 0
25 mol 238 unq 6 iso 0 dist 6.5772 6.17025 9.50847 5.88491 7.61203 6.89694 numMergedOcc 0
26 mol 238 unq 7 iso 0 dist 6.5772 9.0378 14.4744 5.88491 7.61203 11.7654 numMergedOcc 0
27 mol 238 unq 8 iso 0 dist 8.70193 6.65088 10.6286 5.88491 6.92409 11.0295 numMergedOcc 0
28 mol 238 unq 9 iso 0 dist 8.70193 6.5772 6.32518 5.88491 6.92409 7.61203 numMergedOcc 0
29 mol 238 unq 10 iso 0 dist 8.70193 6.17025 12.6266 5.88491 6.92409 6.89694 numMergedOcc 0
30 mol 238 unq 11 iso 0 dist 8.70193 9.0378 17.3008 5.88491 6.92409 11.7654 numMergedOcc 0
31 mol 238 unq 12 iso 0 dist 6.17025 6.65088 10.1756 5.88491 6.89694 11.0295 numMergedOcc 0
32 mol 238 unq 13 iso 0 dist 6.17025 6.65088 10.1756 5.8041 6.44735 7.47235 numMergedOcc 0
33 mol 238 unq 14 iso 0 dist 6.17025 6.5772 9.50847 5.88491 6.89694 7.61203 numMergedOcc 0
34 mol 238 unq 15 iso 0 dist 6.17025 6.5772 9.50847 5.8041 6.44735 10.3116 numMergedOcc 0
35 mol 238 unq 16 iso 0 dist 6.17025 8.70193 12.6266 5.88491 6.89694 6.92409 numMergedOcc 0
36 mol 238 unq 17 iso 0 dist 6.17025 8.70193 12.6266 5.8041 6.44735 14.2657 numMergedOcc 0
37 mol 238 unq 18 iso 0 dist 6.17025 9.0378 6.34909 5.88491 6.89694 11.7654 numMergedOcc 0
38 mol 238 unq 19 iso 0 dist 6.17025 9.0378 6.34909 5.8041 6.44735 5.91208 numMergedOcc 0
39 mol 238 unq 20 iso 0 dist 9.0378 6.65088 13.0634 5.8041 5.91208 7.47235 numMergedOcc 0
40 mol 238 unq 21 iso 0 dist 9.0378 6.5772 14.4744 5.8041 5.91208 10.3116 numMergedOcc 0
41 mol 238 unq 22 iso 0 dist 9.0378 8.70193 17.3008 5.8041 5.91208 14.2657 numMergedOcc 0
42 mol 238 unq 23 iso 0 dist 9.0378 6.17025 6.34909 5.8041 5.91208 6.44735 numMergedOcc 0
43 mol 250 unq 0 iso 0 dist 8.16469 8.86638 9.82907 7.62569 9.03319 12.4662 numMergedOcc 0
44 mol 250 unq 1 iso 0 dist 8.16469 5.94383 6.17591 7.62569 9.03319 10.7645 numMergedOcc 0
45 mol 250 unq 2 iso 0 dist 9.88279 7.88284 6.17591 13.3093 9.03319 10.7645 numMergedOcc 0
46 mol 270 unq 0 iso 0 dist 6.79822 9.16073 6.73396 5.30053 6.31869 11.447 numMergedOcc 0
47 mol 270 unq 1 iso 0 dist 9.17227 8.39167 6.73396 8.58393 6.31869 11.447 numMergedOcc 0
