REMARK Name = BDB024419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.773 -1.803 0.190 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.600 -3.290 -0.086 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.017 -4.151 0.859 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.868 -5.512 0.584 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.310 -6.032 -0.630 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.908 -5.194 -1.569 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.058 -3.833 -1.298 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.465 -1.178 0.762 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.503 -0.995 -0.202 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.342 -1.348 -1.137 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.351 -0.891 1.954 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.776 -0.447 -0.060 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.492 -0.466 -1.204 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.747 0.047 -1.167 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.343 0.592 -0.035 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.575 0.601 1.130 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.278 0.079 1.120 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.712 1.114 -0.068 0.00 0.00 +0.008 A ATOM 19 C LIG 1 6.038 2.318 0.414 0.00 0.00 +0.081 A ATOM 20 C LIG 1 7.426 2.827 0.349 0.00 0.00 +0.268 A ATOM 21 O LIG 1 7.670 3.928 0.835 0.00 0.00 -0.266 OA ATOM 22 N LIG 1 8.350 2.001 -0.275 0.00 0.00 -0.233 N ATOM 23 C LIG 1 9.740 2.405 -0.373 0.00 0.00 +0.176 C ATOM 24 N LIG 1 8.057 0.747 -0.762 0.00 0.00 -0.176 NA ATOM 25 C LIG 1 6.832 0.349 -0.657 0.00 0.00 +0.141 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.908 -1.596 1.119 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.544 -1.787 2.058 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.427 -0.222 1.103 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -5.564 -0.844 -0.162 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.351 0.093 -0.100 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.781 1.555 -0.077 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.319 2.433 -1.070 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.695 3.779 -1.063 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.538 4.268 -0.062 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.002 3.404 0.933 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.626 2.057 0.925 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -5.924 5.648 -0.056 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -6.236 6.766 -0.051 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9