REMARK Name = BDB008208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.643 -0.543 -0.367 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.786 -0.089 -0.348 0.00 0.00 +0.237 C ATOM 3 N LIG 1 0.509 0.271 0.013 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.370 0.809 0.865 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.988 -1.012 -1.147 0.00 0.00 -0.273 OA BRANCH 2 6 ATOM 6 C LIG 1 2.959 0.807 0.184 0.00 0.00 +0.110 C BRANCH 6 7 ATOM 7 N LIG 1 4.154 -0.080 0.129 0.00 0.00 -0.297 N ATOM 8 H LIG 1 4.526 -0.240 -0.797 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 4.359 -1.119 1.023 0.00 0.00 +0.245 C ATOM 10 O LIG 1 3.807 -1.225 2.113 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 5.329 -2.161 0.594 0.00 0.00 +0.037 A ATOM 12 C LIG 1 6.212 -2.683 1.547 0.00 0.00 +0.013 A ATOM 13 C LIG 1 7.124 -3.675 1.182 0.00 0.00 +0.001 A ATOM 14 C LIG 1 7.147 -4.154 -0.130 0.00 0.00 +0.000 A ATOM 15 C LIG 1 6.253 -3.650 -1.077 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.338 -2.658 -0.717 0.00 0.00 +0.013 A ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 18 ATOM 17 C LIG 1 2.030 2.683 1.805 0.00 0.00 +0.006 C ATOM 18 C LIG 1 2.737 1.334 1.640 0.00 0.00 +0.032 C ENDBRANCH 6 18 BRANCH 6 19 ATOM 19 C LIG 1 3.155 1.999 -0.801 0.00 0.00 +0.032 C ATOM 20 C LIG 1 3.474 1.643 -2.255 0.00 0.00 +0.006 C ENDBRANCH 6 19 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 -1.681 -0.466 0.773 0.00 0.00 +0.234 C ATOM 22 N LIG 1 -2.723 -1.353 0.662 0.00 0.00 -0.300 N ATOM 23 H LIG 1 -2.711 -2.037 -0.093 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -1.572 0.348 1.689 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.821 -1.516 1.623 0.00 0.00 +0.110 C ATOM 26 C LIG 1 -4.606 -0.211 1.865 0.00 0.00 +0.035 C ATOM 27 C LIG 1 -4.357 0.159 3.322 0.00 0.00 +0.003 C ATOM 28 C LIG 1 -4.130 -1.173 4.013 0.00 0.00 +0.003 C ATOM 29 C LIG 1 -3.321 -1.976 3.005 0.00 0.00 +0.035 C BRANCH 25 30 ATOM 30 C LIG 1 -4.734 -2.605 0.987 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -4.478 -3.124 -0.102 0.00 0.00 -0.274 OA ATOM 32 N LIG 1 -5.844 -2.999 1.670 0.00 0.00 -0.328 N ATOM 33 H LIG 1 -6.451 -3.670 1.217 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -6.174 -2.550 2.511 0.00 0.00 +0.145 HD ENDBRANCH 25 30 ENDBRANCH 22 25 ENDBRANCH 1 21 BRANCH 1 35 ATOM 35 C LIG 1 -1.227 -0.105 -1.718 0.00 0.00 +0.033 C BRANCH 35 36 ATOM 36 C LIG 1 -1.731 1.344 -1.726 0.00 0.00 +0.023 C BRANCH 36 37 ATOM 37 C LIG 1 -2.337 1.714 -3.083 0.00 0.00 +0.115 C BRANCH 37 38 ATOM 38 N LIG 1 -2.829 3.086 -3.035 0.00 0.00 -0.356 N ATOM 39 H LIG 1 -3.416 3.263 -2.230 0.00 0.00 +0.162 HD BRANCH 38 40 ATOM 40 C LIG 1 -3.312 3.679 -4.154 0.00 0.00 +0.188 C ATOM 41 N LIG 1 -3.254 3.187 -5.335 0.00 0.00 -0.269 NA ATOM 42 H LIG 1 -3.706 3.819 -5.997 0.00 0.00 +0.190 HD BRANCH 40 43 ATOM 43 N LIG 1 -3.865 4.873 -3.871 0.00 0.00 -0.370 N ATOM 44 H LIG 1 -4.021 5.474 -4.672 0.00 0.00 +0.159 HD ATOM 45 H LIG 1 -3.367 5.366 -3.145 0.00 0.00 +0.159 HD ENDBRANCH 40 43 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 15