REMARK Name = BDB011830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.093 1.925 -0.474 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.550 0.672 0.127 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.127 0.733 1.219 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.460 -0.484 -0.655 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.619 -0.680 -1.594 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.916 -0.142 -1.398 0.00 0.00 +0.058 A ATOM 7 C LIG 1 2.930 -0.413 -2.337 0.00 0.00 +0.025 A ATOM 8 C LIG 1 2.684 -1.217 -3.449 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.422 -1.763 -3.637 0.00 0.00 +0.002 A ATOM 10 N LIG 1 2.243 0.623 -0.233 0.00 0.00 -0.263 N ATOM 11 C LIG 1 3.474 0.495 0.429 0.00 0.00 +0.251 C ATOM 12 O LIG 1 4.058 1.428 0.970 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.403 -1.499 -2.718 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.566 1.912 -0.082 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 4.058 -0.868 0.567 0.00 0.00 +0.037 A ATOM 16 C LIG 1 5.436 -1.037 0.407 0.00 0.00 +0.014 A ATOM 17 C LIG 1 6.002 -2.309 0.542 0.00 0.00 +0.012 A ATOM 18 C LIG 1 5.198 -3.418 0.857 0.00 0.00 +0.017 A ATOM 19 C LIG 1 3.821 -3.237 1.046 0.00 0.00 +0.012 A ATOM 20 C LIG 1 3.254 -1.964 0.908 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 5.849 -4.758 0.986 0.00 0.00 +0.160 C ATOM 22 O LIG 1 7.059 -4.868 0.809 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 5.002 -5.957 1.326 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -0.435 4.347 -0.488 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -0.620 3.094 0.039 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -1.157 2.961 0.894 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 0.368 4.549 -1.397 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -1.263 5.473 0.188 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -2.756 5.136 0.260 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -1.656 6.972 -1.731 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -0.980 6.779 -0.454 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 0.030 6.806 -0.633 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -1.145 -1.700 -0.180 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 -2.596 -1.545 0.257 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -3.623 -1.062 -0.611 0.00 0.00 -0.010 A ATOM 36 C LIG 1 -4.955 -0.992 -0.122 0.00 0.00 -0.017 A ATOM 37 C LIG 1 -5.994 -0.525 -0.945 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -5.747 -0.123 -2.254 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -4.454 -0.182 -2.756 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -5.250 -1.397 1.187 0.00 0.00 +0.012 A ATOM 41 C LIG 1 -4.250 -1.869 2.028 0.00 0.00 +0.046 A ATOM 42 C LIG 1 -3.411 -0.644 -1.947 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -2.937 -1.925 1.572 0.00 0.00 +0.126 A BRANCH 43 44 ATOM 44 O LIG 1 -1.950 -2.425 2.384 0.00 0.00 -0.483 OA BRANCH 44 45 ATOM 45 C LIG 1 -1.792 -1.645 3.584 0.00 0.00 +0.342 C BRANCH 45 46 ATOM 46 C LIG 1 -0.379 -1.800 4.130 0.00 0.00 +0.424 C ATOM 47 F LIG 1 -0.059 -3.102 4.313 0.00 0.00 -0.167 F ATOM 48 F LIG 1 0.553 -1.262 3.306 0.00 0.00 -0.167 F ATOM 49 F LIG 1 -0.262 -1.189 5.337 0.00 0.00 -0.167 F ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 10