REMARK Name = BDB019555 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.401 -0.723 -0.090 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.466 -1.820 -0.103 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.720 -1.746 0.519 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.079 -0.554 1.172 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.217 0.554 1.202 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.035 0.452 0.577 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.636 -2.895 0.490 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -3.775 -2.938 -0.350 0.00 0.00 +0.065 A ATOM 9 C LIG 1 -4.612 -4.070 -0.314 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -4.319 -5.137 0.526 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -5.128 -6.203 0.543 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.203 -5.112 1.346 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.365 -3.997 1.327 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -4.120 -1.798 -1.281 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -4.495 -0.670 -0.613 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -5.160 -2.083 -2.117 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -3.091 -1.434 -2.096 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 19 ATOM 18 O LIG 1 2.310 -1.915 -0.761 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 1.714 -0.846 -0.772 0.00 0.00 +0.244 C ATOM 20 N LIG 1 2.174 0.289 -1.400 0.00 0.00 -0.307 N ATOM 21 H LIG 1 1.606 1.125 -1.425 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 3.478 0.346 -2.017 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 4.446 1.072 -1.118 0.00 0.00 -0.029 A ATOM 24 C LIG 1 5.059 0.394 -0.052 0.00 0.00 +0.026 A ATOM 25 C LIG 1 5.933 1.062 0.811 0.00 0.00 +0.060 A ATOM 26 CL LIG 1 6.643 0.156 2.100 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 6.199 2.421 0.616 0.00 0.00 +0.059 A ATOM 28 CL LIG 1 7.264 3.316 1.641 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 5.586 3.104 -0.439 0.00 0.00 +0.022 A ATOM 30 C LIG 1 4.711 2.436 -1.299 0.00 0.00 +0.007 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 19 BRANCH 5 31 ATOM 31 C LIG 1 -1.632 1.823 1.908 0.00 0.00 +0.157 C BRANCH 31 32 ATOM 32 N LIG 1 -1.617 2.963 1.008 0.00 0.00 -0.332 N ATOM 33 C LIG 1 -0.720 3.993 1.037 0.00 0.00 +0.199 A ATOM 34 N LIG 1 -0.953 4.858 0.076 0.00 0.00 -0.244 NA ATOM 35 C LIG 1 -2.060 4.383 -0.579 0.00 0.00 +0.130 A ATOM 36 C LIG 1 -2.494 3.207 -0.013 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 7