REMARK Name = BDB019492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.851 -1.909 2.001 0.00 0.00 -0.218 N ATOM 2 C LIG 1 -0.839 -0.866 1.091 0.00 0.00 +0.077 A ATOM 3 C LIG 1 0.403 -0.925 0.427 0.00 0.00 +0.055 A ATOM 4 C LIG 1 0.676 0.035 -0.580 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.307 1.003 -0.884 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -1.533 1.069 -0.215 0.00 0.00 -0.014 A ATOM 7 C LIG 1 1.080 -2.048 0.985 0.00 0.00 +0.145 A ATOM 8 C LIG 1 -1.797 0.122 0.787 0.00 0.00 +0.037 A ATOM 9 C LIG 1 0.298 -2.649 1.931 0.00 0.00 +0.158 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.523 2.106 -0.545 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -2.186 3.455 -0.620 0.00 0.00 +0.120 A ATOM 12 N LIG 1 -3.053 4.457 -0.917 0.00 0.00 -0.254 NA ATOM 13 C LIG 1 -4.347 4.137 -1.157 0.00 0.00 +0.074 A ATOM 14 C LIG 1 -4.776 2.811 -1.113 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -3.861 1.799 -0.805 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 C LIG 1 -5.230 5.268 -1.470 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -6.609 5.251 -1.329 0.00 0.00 +0.124 A ATOM 18 N LIG 1 -7.434 6.283 -1.623 0.00 0.00 -0.243 NA ATOM 19 C LIG 1 -6.835 7.394 -2.071 0.00 0.00 +0.221 A ATOM 20 N LIG 1 -5.518 7.555 -2.246 0.00 0.00 -0.243 NA ATOM 21 C LIG 1 -4.750 6.484 -1.934 0.00 0.00 +0.124 A ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 4 22 ATOM 22 C LIG 1 1.930 0.094 -1.385 0.00 0.00 +0.245 C ATOM 23 N LIG 1 3.090 -0.376 -0.817 0.00 0.00 -0.307 N ATOM 24 H LIG 1 3.000 -1.014 -0.032 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 1.896 0.592 -2.508 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 4.307 -0.496 -1.589 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 C LIG 1 5.494 -0.436 -0.682 0.00 0.00 +0.075 A ATOM 28 C LIG 1 5.846 -1.672 0.079 0.00 0.00 +0.257 A ATOM 29 O LIG 1 5.192 -2.708 -0.001 0.00 0.00 -0.267 OA ATOM 30 N LIG 1 6.952 -1.600 0.894 0.00 0.00 -0.326 N ATOM 31 H LIG 1 7.167 -2.446 1.407 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 7.727 -0.478 1.062 0.00 0.00 +0.019 A ATOM 33 C LIG 1 8.866 -0.569 2.029 0.00 0.00 +0.063 C ATOM 34 C LIG 1 7.422 0.629 0.370 0.00 0.00 +0.067 A ATOM 35 C LIG 1 6.307 0.629 -0.551 0.00 0.00 +0.132 A BRANCH 35 36 ATOM 36 O LIG 1 6.074 1.828 -1.191 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 6.902 1.975 -2.344 0.00 0.00 +0.277 C ENDBRANCH 35 36 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 4 22 BRANCH 1 38 ATOM 38 S LIG 1 -2.221 -2.412 2.887 0.00 0.00 +0.061 S ATOM 39 O LIG 1 -2.779 -1.196 3.445 0.00 0.00 -0.152 OA ATOM 40 O LIG 1 -1.754 -3.488 3.741 0.00 0.00 -0.152 OA BRANCH 38 41 ATOM 41 C LIG 1 -3.433 -3.143 1.739 0.00 0.00 +0.112 C ATOM 42 C LIG 1 -4.773 -3.396 2.396 0.00 0.00 +0.034 C ATOM 43 C LIG 1 -4.623 -2.279 1.393 0.00 0.00 +0.034 C BRANCH 41 44 ATOM 44 C LIG 1 -2.797 -4.125 0.802 0.00 0.00 +0.058 C BRANCH 44 46 ATOM 45 C LIG 1 -3.925 -6.202 -0.062 0.00 0.00 +0.004 C ATOM 46 C LIG 1 -3.712 -4.881 -0.126 0.00 0.00 -0.032 C ENDBRANCH 44 46 ENDBRANCH 41 44 ENDBRANCH 38 41 ENDBRANCH 1 38 BRANCH 7 47 ATOM 47 O LIG 1 2.298 -2.487 0.650 0.00 0.00 -0.505 OA ATOM 48 H LIG 1 2.557 -3.288 1.143 0.00 0.00 +0.292 HD ENDBRANCH 7 47 TORSDOF 11