REMARK Name = BDB019630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.088 -1.226 1.517 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.339 -2.199 0.540 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.616 -2.346 -0.018 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.640 -1.494 0.425 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.413 -0.527 1.418 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.126 -0.397 1.960 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.878 -3.352 -1.056 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.923 -4.734 -0.800 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -1.715 -5.289 0.582 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -2.161 -5.660 -1.767 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -2.369 -5.211 -3.020 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -2.605 -6.122 -3.974 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -2.355 -3.878 -3.374 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -2.107 -2.939 -2.378 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.685 0.121 2.502 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.138 0.925 2.232 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.289 -1.128 2.073 0.00 0.00 +0.244 C ATOM 18 O LIG 1 2.008 -2.120 2.102 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.051 0.378 2.903 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 4.982 1.045 -0.316 0.00 0.00 +0.124 A ATOM 21 C LIG 1 5.136 2.433 -0.266 0.00 0.00 +0.091 A ATOM 22 C LIG 1 4.620 3.158 0.812 0.00 0.00 +0.124 A ATOM 23 C LIG 1 3.950 2.488 1.840 0.00 0.00 +0.051 A ATOM 24 C LIG 1 3.795 1.097 1.810 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.311 0.387 0.719 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 6.158 0.823 -2.375 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.430 0.222 -1.313 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 4.694 4.515 0.980 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 5.433 5.247 0.009 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.539 0.376 1.863 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 -3.618 1.530 0.994 0.00 0.00 -0.329 N ATOM 32 H LIG 1 -2.800 2.127 1.001 0.00 0.00 +0.147 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.394 1.553 -0.131 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -4.197 2.653 -1.138 0.00 0.00 +0.073 C ATOM 35 C LIG 1 -5.513 2.564 -1.868 0.00 0.00 +0.031 C ATOM 36 C LIG 1 -5.859 1.095 -1.732 0.00 0.00 +0.143 C ATOM 37 N LIG 1 -5.303 0.676 -0.430 0.00 0.00 -0.273 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9