REMARK Name = BDB011433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.227 -0.316 -1.080 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.442 -0.078 0.059 0.00 0.00 -0.338 N ATOM 3 C LIG 1 0.150 0.040 -0.364 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.190 0.307 0.226 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.006 0.344 -1.022 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.239 0.152 -2.194 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.560 0.248 -3.365 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.105 -0.057 -1.725 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.392 -0.299 -2.196 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.378 0.552 -1.035 0.00 0.00 +0.103 A ATOM 11 C LIG 1 -4.240 -0.221 -2.022 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.794 -1.192 -2.632 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.577 0.180 -2.112 0.00 0.00 -0.316 N ATOM 14 C LIG 1 -6.435 -0.494 -3.072 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.149 1.051 -1.204 0.00 0.00 +0.092 A ATOM 16 C LIG 1 -5.427 1.620 -0.230 0.00 0.00 -0.032 A ATOM 17 C LIG 1 -6.016 2.547 0.789 0.00 0.00 +0.045 C ATOM 18 C LIG 1 -4.002 1.366 -0.164 0.00 0.00 +0.033 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.683 -0.762 1.187 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.093 -0.407 2.484 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.565 -1.377 3.373 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.640 -2.709 2.971 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.221 -3.899 4.069 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.250 -3.080 1.688 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.776 -2.112 0.800 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.342 -1.005 -1.087 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.948 0.263 -0.893 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.616 0.472 -0.900 0.00 0.00 +0.230 A ATOM 29 C LIG 1 3.673 -0.531 -1.071 0.00 0.00 +0.078 A ATOM 30 C LIG 1 4.207 -1.788 -1.268 0.00 0.00 +0.131 A ATOM 31 N LIG 1 5.529 -2.054 -1.272 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.521 -0.174 -0.964 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.684 -1.314 -1.092 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 4.144 1.758 -0.689 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 5.170 2.744 -0.667 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.959 0.025 1.426 0.00 0.00 +0.081 C ATOM 37 C LIG 1 1.444 1.248 2.183 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.767 -1.269 2.214 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6