REMARK Name = BDB024227 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.375 -1.272 -0.099 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.452 -2.785 0.036 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.230 -3.424 1.268 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.311 -4.814 1.373 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.617 -5.582 0.252 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.845 -4.963 -0.975 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.764 -3.574 -1.083 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.935 -0.664 -0.651 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.672 -0.959 -1.582 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.018 -0.753 0.376 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.241 -0.483 1.557 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.894 0.561 -0.754 0.00 0.00 +0.084 A ATOM 13 C LIG 1 4.182 0.087 -1.848 0.00 0.00 +0.140 A ATOM 14 N LIG 1 2.885 -0.310 -1.792 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.259 -0.237 -0.599 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.892 0.226 0.545 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.228 0.631 0.469 0.00 0.00 +0.032 A BRANCH 12 21 ATOM 18 C LIG 1 9.554 2.225 0.046 0.00 0.00 +0.047 C ATOM 19 C LIG 1 8.315 1.689 -0.557 0.00 0.00 -0.013 A ATOM 20 C LIG 1 7.102 1.447 0.053 0.00 0.00 +0.118 A ATOM 21 N LIG 1 6.245 0.953 -0.908 0.00 0.00 -0.238 N ATOM 22 N LIG 1 6.860 0.869 -2.114 0.00 0.00 -0.175 NA ATOM 23 C LIG 1 8.098 1.313 -1.896 0.00 0.00 +0.138 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.420 -0.550 0.655 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.263 -0.697 1.653 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.787 -0.906 0.273 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.829 -0.015 0.996 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -6.247 -0.535 0.729 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.713 1.457 0.622 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.962 1.910 -0.683 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.843 3.266 -1.003 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.471 4.188 -0.021 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.218 3.749 1.280 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.338 2.393 1.598 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -4.348 5.578 -0.349 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.253 6.704 -0.617 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9