REMARK Name = BDB024206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.625 -0.567 0.021 0.00 0.00 -0.269 N ATOM 2 H LIG 1 0.962 -1.518 0.067 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 1.554 0.450 0.183 0.00 0.00 +0.240 C ATOM 4 O LIG 1 1.317 1.647 0.334 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -3.544 -0.159 -0.263 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -2.648 0.916 -0.257 0.00 0.00 +0.136 A ATOM 7 N LIG 1 -1.297 0.827 -0.159 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 -0.760 -0.395 -0.072 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -1.547 -1.539 -0.096 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -2.939 -1.415 -0.194 0.00 0.00 +0.028 A BRANCH 5 14 ATOM 11 C LIG 1 -7.824 0.239 -0.075 0.00 0.00 +0.069 C ATOM 12 C LIG 1 -6.877 1.393 0.297 0.00 0.00 +0.053 C ATOM 13 C LIG 1 -5.486 0.903 0.697 0.00 0.00 +0.108 C ATOM 14 N LIG 1 -4.930 0.041 -0.366 0.00 0.00 -0.329 N ATOM 15 C LIG 1 -5.765 -1.118 -0.718 0.00 0.00 +0.108 C ATOM 16 C LIG 1 -7.160 -0.655 -1.135 0.00 0.00 +0.053 C ATOM 17 C LIG 1 -8.173 -0.590 1.177 0.00 0.00 +0.041 C BRANCH 11 19 ATOM 18 C LIG 1 -9.140 1.677 -1.558 0.00 0.00 +0.194 C ATOM 19 O LIG 1 -9.111 0.700 -0.530 0.00 0.00 -0.377 OA ENDBRANCH 11 19 ENDBRANCH 5 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 3.022 -0.081 0.149 0.00 0.00 +0.171 C BRANCH 20 21 ATOM 21 C LIG 1 3.294 -1.062 1.282 0.00 0.00 -0.022 A ATOM 22 C LIG 1 2.963 -0.754 2.611 0.00 0.00 +0.005 A ATOM 23 C LIG 1 3.213 -1.669 3.635 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.805 -2.896 3.347 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.156 -3.209 2.035 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.906 -2.297 1.008 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 3.990 1.039 0.221 0.00 0.00 -0.302 NA ATOM 28 H LIG 1 3.558 1.743 0.828 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 4.226 1.671 -1.085 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 5.219 0.906 -1.979 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 6.658 1.003 -1.524 0.00 0.00 -0.046 A ATOM 32 C LIG 1 7.117 0.244 -0.439 0.00 0.00 +0.005 A ATOM 33 C LIG 1 8.445 0.337 -0.015 0.00 0.00 +0.019 A ATOM 34 C LIG 1 9.332 1.192 -0.674 0.00 0.00 +0.052 A ATOM 35 C LIG 1 8.882 1.956 -1.756 0.00 0.00 +0.019 A ATOM 36 C LIG 1 7.553 1.863 -2.176 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 10.695 1.288 -0.242 0.00 0.00 +0.099 C ATOM 38 N LIG 1 11.800 1.364 0.103 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 3 20 TORSDOF 10