REMARK Name = BDB026543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.156 -2.061 1.206 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -0.136 -1.732 -0.311 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -0.545 -0.278 -0.581 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -0.423 0.025 -2.078 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -1.931 -0.004 -0.150 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -2.451 -0.977 0.822 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -1.415 -1.414 1.857 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -0.208 -3.577 1.367 0.00 0.00 +0.311 C ATOM 9 O LIG 1 -0.024 -4.412 0.496 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 -0.427 -3.978 2.634 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 -0.380 -4.957 2.586 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 1.103 -1.544 1.961 0.00 0.00 +0.076 C BRANCH 12 15 ATOM 13 C LIG 1 4.157 -1.394 -0.087 0.00 0.00 +0.221 A ATOM 14 N LIG 1 2.975 -1.077 0.475 0.00 0.00 -0.216 NA ATOM 15 C LIG 1 2.438 -1.934 1.377 0.00 0.00 +0.083 A ATOM 16 C LIG 1 3.073 -3.100 1.737 0.00 0.00 +0.163 A ATOM 17 F LIG 1 2.562 -3.950 2.635 0.00 0.00 -0.202 F ATOM 18 C LIG 1 4.273 -3.348 1.124 0.00 0.00 +0.154 A ATOM 19 N LIG 1 4.832 -2.518 0.216 0.00 0.00 -0.220 NA BRANCH 13 20 ATOM 20 N LIG 1 4.752 -0.577 -1.038 0.00 0.00 -0.267 N ATOM 21 H LIG 1 5.599 -1.009 -1.374 0.00 0.00 +0.156 HD BRANCH 20 27 ATOM 22 C LIG 1 2.377 3.599 -2.313 0.00 0.00 +0.065 C ATOM 23 C LIG 1 3.276 2.439 -2.143 0.00 0.00 +0.035 A ATOM 24 N LIG 1 4.395 2.255 -2.904 0.00 0.00 -0.280 N ATOM 25 H LIG 1 4.751 2.846 -3.647 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 5.079 1.143 -2.598 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 4.378 0.579 -1.609 0.00 0.00 +0.147 A ATOM 28 C LIG 1 3.248 1.364 -1.283 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 13 20 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -2.079 1.392 0.309 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 C LIG 1 -3.512 1.871 0.309 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -4.038 2.529 1.426 0.00 0.00 +0.146 A ATOM 32 F LIG 1 -3.262 2.708 2.507 0.00 0.00 -0.204 F ATOM 33 C LIG 1 -5.353 2.997 1.428 0.00 0.00 +0.076 A ATOM 34 CL LIG 1 -5.995 3.800 2.810 0.00 0.00 -0.081 Cl ATOM 35 C LIG 1 -6.160 2.820 0.304 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -5.646 2.176 -0.822 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -4.330 1.708 -0.821 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8