REMARK Name = BDB011543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.499 0.106 0.465 0.00 0.00 +0.200 C ATOM 2 C LIG 1 2.058 1.341 1.256 0.00 0.00 +0.200 C ATOM 3 C LIG 1 2.884 1.526 2.531 0.00 0.00 +0.054 C ATOM 4 O LIG 1 0.662 1.400 1.587 0.00 0.00 -0.485 OA ATOM 5 C LIG 1 0.110 0.210 1.980 0.00 0.00 +0.142 A ATOM 6 C LIG 1 -0.141 -0.839 1.079 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -0.850 -1.955 1.547 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.297 -2.018 2.871 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.055 -0.961 3.743 0.00 0.00 +0.004 A ATOM 10 N LIG 1 0.286 -0.768 -0.284 0.00 0.00 -0.262 N ATOM 11 C LIG 1 -0.361 0.159 3.294 0.00 0.00 +0.047 A ATOM 12 C LIG 1 1.483 -0.162 -0.657 0.00 0.00 +0.244 C ATOM 13 O LIG 1 1.759 0.127 -1.828 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 4.739 -0.712 -0.198 0.00 0.00 +0.230 C ATOM 15 N LIG 1 3.810 0.309 -0.171 0.00 0.00 -0.300 N ATOM 16 H LIG 1 3.789 0.908 -0.991 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 4.629 -1.736 0.473 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 5.929 -0.455 -1.149 0.00 0.00 +0.137 C ATOM 19 C LIG 1 5.525 -0.864 -2.564 0.00 0.00 +0.034 C BRANCH 18 20 ATOM 20 N LIG 1 7.107 -1.252 -0.742 0.00 0.00 -0.306 NA ATOM 21 H LIG 1 6.758 -2.190 -0.520 0.00 0.00 +0.123 HD BRANCH 20 23 ATOM 22 C LIG 1 8.619 0.496 0.168 0.00 0.00 +0.020 C ATOM 23 C LIG 1 7.768 -0.732 0.458 0.00 0.00 +0.078 C ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 10 24 ATOM 24 C LIG 1 -0.637 -1.193 -1.341 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -1.805 -0.240 -1.512 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -3.133 -0.553 -1.133 0.00 0.00 +0.025 A ATOM 27 C LIG 1 -3.784 -1.688 -0.611 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -5.088 -1.508 -0.432 0.00 0.00 -0.174 NA ATOM 29 N LIG 1 -5.310 -0.219 -0.781 0.00 0.00 -0.231 N ATOM 30 C LIG 1 -4.156 0.387 -1.283 0.00 0.00 +0.075 A ATOM 31 C LIG 1 -3.918 1.635 -1.887 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -2.613 1.941 -2.273 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -1.579 1.031 -2.080 0.00 0.00 +0.006 A BRANCH 29 34 ATOM 34 C LIG 1 -6.593 0.357 -0.542 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -7.768 -0.422 -0.581 0.00 0.00 +0.077 A ATOM 36 C LIG 1 -9.004 0.188 -0.296 0.00 0.00 +0.021 A ATOM 37 C LIG 1 -9.079 1.542 0.029 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.918 2.305 0.078 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -6.682 1.719 -0.202 0.00 0.00 +0.029 A BRANCH 35 40 ATOM 40 C LIG 1 -7.810 -1.805 -0.980 0.00 0.00 +0.101 C ATOM 41 N LIG 1 -7.939 -2.906 -1.327 0.00 0.00 -0.191 NA ENDBRANCH 35 40 ENDBRANCH 29 34 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 8