REMARK Name = BDB005362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.741 -0.737 0.421 0.00 0.00 +0.146 A ATOM 2 N LIG 1 0.887 -0.100 -0.485 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.369 -0.354 -0.030 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.770 -0.029 -0.365 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.456 -0.834 0.698 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.548 -1.425 1.619 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.784 -2.055 2.637 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.244 -1.105 1.093 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.053 -1.329 1.397 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.832 -1.192 0.587 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.302 -2.518 0.732 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.416 -3.723 0.916 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.689 -2.774 0.661 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.600 -1.754 0.400 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.133 -0.464 0.212 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -7.244 0.808 -0.121 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.768 -0.183 0.302 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 1 19 ATOM 18 C LIG 1 3.925 -1.661 -0.380 0.00 0.00 +0.149 A ATOM 19 C LIG 1 3.202 -0.732 0.377 0.00 0.00 +0.062 A ATOM 20 C LIG 1 3.888 0.181 1.188 0.00 0.00 +0.039 A ATOM 21 C LIG 1 5.279 0.186 1.183 0.00 0.00 +0.056 A ATOM 22 N LIG 1 5.995 -0.681 0.430 0.00 0.00 -0.255 NA ATOM 23 C LIG 1 5.309 -1.580 -0.320 0.00 0.00 +0.157 A BRANCH 18 25 ATOM 24 C LIG 1 3.926 -3.673 -1.645 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.214 -2.551 -1.138 0.00 0.00 -0.493 OA ENDBRANCH 18 25 BRANCH 21 26 ATOM 26 C LIG 1 6.050 1.171 2.026 0.00 0.00 +0.173 C BRANCH 26 27 ATOM 27 C LIG 1 5.891 2.547 1.542 0.00 0.00 +0.069 C ATOM 28 N LIG 1 5.743 3.639 1.173 0.00 0.00 -0.196 NA ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 1 19 BRANCH 4 29 ATOM 29 C LIG 1 -2.033 1.466 -0.300 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.418 2.155 -1.463 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -2.656 3.532 -1.431 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -2.510 4.244 -0.237 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -2.125 3.572 0.925 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -1.888 2.195 0.894 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -2.753 5.657 -0.207 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -2.948 6.801 -0.190 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.206 0.741 -1.633 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.998 0.033 -2.730 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.850 2.067 -1.230 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 8