REMARK Name = BDB019702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.044 -0.256 -1.060 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -0.330 -1.580 -0.654 0.00 0.00 +0.045 A ATOM 3 C LIG 1 -1.488 -1.814 0.128 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -2.361 -0.743 0.407 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.101 0.558 -0.043 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.940 0.791 -0.785 0.00 0.00 +0.020 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.823 -3.152 0.655 0.00 0.00 -0.013 A ATOM 8 C LIG 1 -2.771 -3.994 0.027 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.493 -3.575 -1.227 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -3.061 -5.247 0.592 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.412 -5.662 1.749 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.699 -6.862 2.272 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -1.473 -4.854 2.370 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.181 -3.603 1.825 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.809 1.235 -1.576 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.552 1.728 -0.732 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.187 0.035 -1.851 0.00 0.00 +0.246 C ATOM 18 O LIG 1 1.601 -0.777 -2.673 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.094 1.566 -2.151 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 5.711 -0.095 0.069 0.00 0.00 +0.124 A ATOM 21 C LIG 1 6.207 1.000 0.782 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.698 2.281 0.545 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.693 2.461 -0.411 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.193 1.376 -1.140 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.707 0.099 -0.884 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 7.125 -1.663 1.171 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.117 -1.395 0.206 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 6.088 3.432 1.176 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 7.133 3.322 2.134 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 N LIG 1 0.627 -2.611 -0.827 0.00 0.00 -0.357 N ATOM 31 H LIG 1 1.225 -2.435 -1.643 0.00 0.00 +0.142 HD ATOM 32 H LIG 1 0.220 -3.541 -0.855 0.00 0.00 +0.142 HD ENDBRANCH 2 30 BRANCH 5 33 ATOM 33 C LIG 1 -3.082 1.669 0.239 0.00 0.00 +0.138 C BRANCH 33 34 ATOM 34 N LIG 1 -4.198 1.567 -0.669 0.00 0.00 -0.329 N ATOM 35 H LIG 1 -3.966 1.259 -1.609 0.00 0.00 +0.147 HD BRANCH 34 36 ATOM 36 C LIG 1 -5.266 2.413 -0.659 0.00 0.00 +0.090 C ATOM 37 C LIG 1 -5.685 3.178 0.564 0.00 0.00 +0.073 C ATOM 38 C LIG 1 -7.101 3.520 0.168 0.00 0.00 +0.031 C ATOM 39 C LIG 1 -7.008 3.598 -1.344 0.00 0.00 +0.143 C ATOM 40 N LIG 1 -5.972 2.619 -1.730 0.00 0.00 -0.273 NA ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10