REMARK Name = BDB064864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.390 -1.675 -1.753 0.00 0.00 +0.000 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.758 -1.705 -0.776 0.00 0.00 +0.000 C ATOM 3 N LIG 1 -2.068 -1.293 -1.203 0.00 0.00 +0.000 N ATOM 4 H LIG 1 -2.162 -0.844 -2.142 0.00 0.00 +0.000 HD ATOM 5 O LIG 1 -0.570 -2.101 0.407 0.00 0.00 +0.000 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.300 -1.531 -0.439 0.00 0.00 +0.000 C BRANCH 6 7 ATOM 7 B LIG 1 -3.265 -0.735 0.957 0.00 0.00 +0.000 B ATOM 8 O LIG 1 -2.608 0.572 0.994 0.00 0.00 +0.000 OA ATOM 9 C LIG 1 -3.485 1.374 1.750 0.00 0.00 +0.000 C ATOM 10 C LIG 1 -4.742 0.484 2.110 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -6.084 0.913 1.386 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -5.952 2.249 0.588 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -5.201 3.327 1.401 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -5.361 4.741 0.777 0.00 0.00 +0.000 C ATOM 15 C LIG 1 -5.534 3.455 2.909 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -4.710 2.099 -0.292 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -2.700 1.796 3.008 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -3.897 2.632 0.902 0.00 0.00 +0.000 C ATOM 19 O LIG 1 -4.430 -0.850 1.823 0.00 0.00 +0.000 OA ENDBRANCH 6 7 BRANCH 6 20 ATOM 20 C LIG 1 -3.547 -3.041 -0.218 0.00 0.00 +0.000 C BRANCH 20 21 ATOM 21 C LIG 1 -3.578 -3.863 -1.530 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -3.561 -5.363 -1.212 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -4.805 -3.525 -2.390 0.00 0.00 +0.000 C ENDBRANCH 20 21 ENDBRANCH 6 20 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 N LIG 1 1.669 -1.868 -1.060 0.00 0.00 +0.000 N ATOM 25 H LIG 1 1.878 -2.811 -0.659 0.00 0.00 +0.000 HD ATOM 26 C LIG 1 2.581 -0.790 -0.797 0.00 0.00 +0.000 C ATOM 27 O LIG 1 2.207 0.403 -0.959 0.00 0.00 +0.000 OA BRANCH 26 28 ATOM 28 C LIG 1 3.947 -1.060 -0.295 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.667 -2.200 -0.704 0.00 0.00 +0.000 A ATOM 30 F LIG 1 4.150 -3.066 -1.611 0.00 0.00 +0.000 F ATOM 31 C LIG 1 5.953 -2.432 -0.210 0.00 0.00 +0.000 A ATOM 32 C LIG 1 6.540 -1.533 0.682 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.851 -0.377 1.077 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.552 -0.151 0.591 0.00 0.00 +0.000 A BRANCH 33 35 ATOM 35 C LIG 1 6.483 0.600 2.039 0.00 0.00 +0.000 C BRANCH 35 36 ATOM 36 C LIG 1 6.560 1.989 1.450 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.376 2.319 0.341 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.265 1.280 -0.309 0.00 0.00 +0.000 C ATOM 39 C LIG 1 7.289 3.630 -0.191 0.00 0.00 +0.000 A ATOM 40 C LIG 1 8.077 4.034 -1.418 0.00 0.00 +0.000 C ATOM 41 C LIG 1 6.476 4.572 0.465 0.00 0.00 +0.000 A ATOM 42 O LIG 1 6.407 5.763 0.055 0.00 0.00 +0.000 OA ATOM 43 N LIG 1 5.753 4.199 1.551 0.00 0.00 +0.000 N ATOM 44 H LIG 1 5.144 4.898 2.034 0.00 0.00 +0.000 HD ATOM 45 N LIG 1 5.786 2.953 2.013 0.00 0.00 +0.000 NA ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 46 ATOM 46 C LIG 1 0.214 -2.747 -2.837 0.00 0.00 +0.000 C BRANCH 46 48 ATOM 47 C LIG 1 -0.085 -4.997 -3.240 0.00 0.00 +0.000 C ATOM 48 O LIG 1 0.108 -4.024 -2.239 0.00 0.00 +0.000 OA ENDBRANCH 46 48 ENDBRANCH 1 46 TORSDOF 11