REMARK Name = BDB006464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.152 0.050 -1.172 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.730 0.624 0.037 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.358 0.617 0.365 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.378 1.093 1.483 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.704 0.807 1.263 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -1.811 0.193 0.038 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.556 0.048 -0.528 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.146 -0.517 -1.746 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.219 -0.501 -2.053 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 4.502 -0.019 -0.538 0.00 0.00 -0.305 N ATOM 11 H LIG 1 4.181 -0.194 0.404 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.588 0.033 -1.567 0.00 0.00 +0.245 C ATOM 13 O LIG 1 3.898 0.037 -2.753 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 5.936 -0.097 -0.775 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 6.526 -1.131 0.175 0.00 0.00 -0.027 A ATOM 16 C LIG 1 6.832 -0.835 1.513 0.00 0.00 +0.005 A ATOM 17 C LIG 1 7.344 -1.819 2.362 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.545 -3.114 1.891 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.230 -3.429 0.572 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.719 -2.446 -0.279 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 6.230 2.238 -1.780 0.00 0.00 +0.006 C ATOM 22 C LIG 1 6.602 1.288 -0.648 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -3.073 -0.276 -0.531 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -3.910 0.863 -1.081 0.00 0.00 -0.020 A ATOM 25 C LIG 1 -5.187 1.186 -0.563 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -5.899 2.262 -1.128 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.374 3.002 -2.187 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -4.126 2.678 -2.703 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.402 1.619 -2.157 0.00 0.00 +0.006 A BRANCH 25 30 ATOM 30 C LIG 1 -5.810 0.441 0.538 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -6.518 -0.745 0.287 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -7.109 -1.450 1.343 0.00 0.00 +0.059 A ATOM 33 C LIG 1 -6.978 -0.994 2.658 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -6.286 0.188 2.914 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.713 0.904 1.860 0.00 0.00 +0.008 A BRANCH 32 36 ATOM 36 C LIG 1 -7.850 -2.707 1.103 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -7.750 -3.686 1.819 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -8.672 -2.636 0.035 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -8.779 -1.742 -0.340 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9