REMARK Name = BDB008034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.921 0.366 0.725 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.282 1.417 1.628 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.464 2.591 1.232 0.00 0.00 +0.006 A ATOM 4 C LIG 1 0.885 3.237 2.393 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.650 4.411 2.385 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.998 4.947 1.144 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.597 4.340 -0.039 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 2.941 6.388 1.084 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 0.402 2.516 3.450 0.00 0.00 -0.349 N ATOM 10 H LIG 1 0.540 2.747 4.425 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 0.832 3.167 -0.006 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.265 1.389 3.027 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -0.795 0.421 3.948 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -1.315 -0.655 3.705 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -0.629 0.831 5.224 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -1.019 0.100 5.747 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 C LIG 1 -4.320 1.882 -0.252 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -2.829 1.710 -0.096 0.00 0.00 +0.214 C ATOM 19 N LIG 1 -2.376 0.577 0.566 0.00 0.00 -0.282 N ATOM 20 O LIG 1 -2.083 2.575 -0.550 0.00 0.00 -0.276 OA BRANCH 19 21 ATOM 21 C LIG 1 -3.259 -0.505 1.012 0.00 0.00 +0.144 C BRANCH 21 22 ATOM 22 C LIG 1 -2.973 -1.841 0.362 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -3.067 -1.998 -1.029 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -2.784 -3.228 -1.626 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.418 -4.314 -0.834 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -2.063 -5.828 -1.568 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -2.333 -4.179 0.550 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -2.610 -2.947 1.146 0.00 0.00 +0.006 A ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 29 ATOM 29 C LIG 1 -0.174 0.090 -0.613 0.00 0.00 +0.238 C ATOM 30 N LIG 1 1.179 -0.184 -0.468 0.00 0.00 -0.311 N ATOM 31 H LIG 1 1.574 -0.211 0.464 0.00 0.00 +0.149 HD ATOM 32 O LIG 1 -0.728 0.037 -1.711 0.00 0.00 -0.273 OA BRANCH 30 33 ATOM 33 C LIG 1 2.003 -0.602 -1.590 0.00 0.00 +0.073 C ATOM 34 C LIG 1 3.477 -0.302 -1.318 0.00 0.00 +0.022 C ATOM 35 C LIG 1 4.359 -0.640 -2.521 0.00 0.00 +0.002 C ATOM 36 C LIG 1 3.811 -1.780 -3.381 0.00 0.00 +0.000 C ATOM 37 C LIG 1 2.990 -2.765 -2.560 0.00 0.00 +0.002 C ATOM 38 C LIG 1 1.784 -2.093 -1.900 0.00 0.00 +0.022 C ENDBRANCH 30 33 ENDBRANCH 1 29 TORSDOF 8