REMARK Name = BDB001947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.415 -0.822 -1.183 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -1.029 0.303 -0.568 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 -2.312 -0.046 -0.176 0.00 0.00 +0.102 A ATOM 4 N LIG 1 -2.455 -1.383 -0.483 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -3.260 -1.946 -0.242 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -1.320 -1.859 -1.087 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.164 -0.540 -1.267 0.00 0.00 +0.220 A ATOM 8 N LIG 1 1.885 -0.459 -0.879 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 0.937 -0.942 -1.711 0.00 0.00 +0.080 A ATOM 10 C LIG 1 1.222 -1.481 -2.953 0.00 0.00 -0.006 A ATOM 11 C LIG 1 0.209 -1.994 -3.920 0.00 0.00 +0.047 C ATOM 12 C LIG 1 2.566 -1.532 -3.247 0.00 0.00 +0.120 A ATOM 13 N LIG 1 3.538 -1.079 -2.434 0.00 0.00 -0.222 NA BRANCH 7 14 ATOM 14 N LIG 1 4.088 -0.039 -0.361 0.00 0.00 -0.281 N ATOM 15 H LIG 1 3.613 0.370 0.435 0.00 0.00 +0.155 HD BRANCH 14 18 ATOM 16 C LIG 1 7.471 0.972 0.834 0.00 0.00 +0.163 A ATOM 17 C LIG 1 6.090 0.705 0.777 0.00 0.00 +0.183 A ATOM 18 C LIG 1 5.474 0.174 -0.378 0.00 0.00 +0.079 A ATOM 19 C LIG 1 6.297 -0.153 -1.457 0.00 0.00 +0.027 A ATOM 20 C LIG 1 7.675 0.077 -1.404 0.00 0.00 +0.006 A ATOM 21 C LIG 1 8.259 0.641 -0.268 0.00 0.00 +0.049 A BRANCH 16 23 ATOM 22 C LIG 1 9.294 1.972 2.000 0.00 0.00 +0.277 C ATOM 23 O LIG 1 7.940 1.541 1.989 0.00 0.00 -0.491 OA ENDBRANCH 16 23 BRANCH 17 24 ATOM 24 O LIG 1 5.266 1.024 1.841 0.00 0.00 -0.490 OA ATOM 25 C LIG 1 5.380 0.031 2.862 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 14 18 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 26 ATOM 26 C LIG 1 -3.294 0.788 0.484 0.00 0.00 +0.261 C ATOM 27 N LIG 1 -4.584 0.301 0.433 0.00 0.00 -0.301 N ATOM 28 H LIG 1 -4.790 -0.307 -0.346 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -3.017 1.852 1.026 0.00 0.00 -0.269 OA BRANCH 27 30 ATOM 30 CA LIG 1 -5.707 1.107 0.911 0.00 0.00 +0.129 C BRANCH 30 31 ATOM 31 C LIG 1 -7.005 0.454 0.447 0.00 0.00 -0.024 A ATOM 32 C LIG 1 -7.335 -0.862 0.817 0.00 0.00 +0.025 A ATOM 33 C LIG 1 -8.520 -1.444 0.368 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -8.901 -3.059 0.824 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -9.393 -0.732 -0.451 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -9.079 0.574 -0.823 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -7.893 1.163 -0.378 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 38 ATOM 38 C LIG 1 -5.698 1.320 2.445 0.00 0.00 +0.182 C BRANCH 38 39 ATOM 39 O LIG 1 -6.698 2.264 2.834 0.00 0.00 -0.393 OA ATOM 40 H LIG 1 -6.572 2.430 3.784 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 30 38 ENDBRANCH 27 30 ENDBRANCH 3 26 TORSDOF 10