REMARK Name = BDB001940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.602 -0.261 -1.263 0.00 0.00 +0.019 A ATOM 2 C LIG 1 0.048 -1.093 -0.254 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 -1.329 -0.935 -0.252 0.00 0.00 +0.102 A ATOM 4 N LIG 1 -1.614 -0.028 -1.250 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -2.544 0.268 -1.516 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -0.457 0.405 -1.846 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 1.692 -0.509 -4.089 0.00 0.00 +0.047 C ATOM 8 C LIG 1 2.499 -0.157 -2.884 0.00 0.00 -0.006 A ATOM 9 C LIG 1 2.003 -0.050 -1.598 0.00 0.00 +0.080 A ATOM 10 N LIG 1 2.773 0.243 -0.527 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 4.075 0.473 -0.736 0.00 0.00 +0.220 A ATOM 12 N LIG 1 4.640 0.422 -1.948 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.846 0.110 -2.989 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 4.809 0.775 0.404 0.00 0.00 -0.281 N ATOM 15 H LIG 1 4.200 0.762 1.213 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 6.154 1.070 0.654 0.00 0.00 +0.069 A ATOM 17 C LIG 1 6.549 1.337 1.977 0.00 0.00 +0.146 A ATOM 18 F LIG 1 5.627 1.298 2.954 0.00 0.00 -0.203 F ATOM 19 C LIG 1 7.863 1.641 2.320 0.00 0.00 +0.060 A ATOM 20 C LIG 1 8.824 1.684 1.319 0.00 0.00 +0.044 A ATOM 21 CL LIG 1 10.456 2.058 1.713 0.00 0.00 -0.083 Cl ATOM 22 C LIG 1 8.472 1.427 -0.004 0.00 0.00 +0.022 A ATOM 23 C LIG 1 7.144 1.122 -0.332 0.00 0.00 +0.027 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 -2.292 -1.602 0.598 0.00 0.00 +0.261 C ATOM 25 N LIG 1 -3.517 -0.978 0.679 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -3.553 0.003 0.447 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -2.049 -2.635 1.211 0.00 0.00 -0.269 OA BRANCH 25 28 ATOM 28 CA LIG 1 -4.537 -1.450 1.614 0.00 0.00 +0.129 C BRANCH 28 29 ATOM 29 C LIG 1 -5.590 -0.363 1.783 0.00 0.00 -0.024 A ATOM 30 C LIG 1 -6.559 -0.106 0.799 0.00 0.00 +0.025 A ATOM 31 C LIG 1 -7.487 0.923 0.972 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -8.663 1.225 -0.247 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -7.463 1.713 2.118 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -6.501 1.476 3.098 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -5.569 0.450 2.930 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -5.128 -2.827 1.212 0.00 0.00 +0.182 C BRANCH 36 37 ATOM 37 O LIG 1 -5.431 -2.896 -0.185 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 -4.575 -2.805 -0.642 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 8