REMARK Name = BDB004028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.826 -0.271 0.375 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -0.517 -0.209 0.325 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 -1.229 -0.772 1.325 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -0.596 -1.415 2.374 0.00 0.00 +0.181 A ATOM 5 F LIG 1 -1.278 -1.982 3.378 0.00 0.00 -0.200 F ATOM 6 C LIG 1 0.773 -1.438 2.348 0.00 0.00 +0.156 A ATOM 7 N LIG 1 1.499 -0.874 1.364 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 1.476 0.348 -0.689 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.782 0.758 -1.297 0.00 0.00 +0.155 HD BRANCH 8 12 ATOM 10 C LIG 1 5.222 0.257 -0.700 0.00 0.00 +0.061 A ATOM 11 C LIG 1 3.896 0.039 -0.293 0.00 0.00 +0.038 A ATOM 12 C LIG 1 2.819 0.533 -1.037 0.00 0.00 +0.034 A ATOM 13 C LIG 1 3.110 1.252 -2.209 0.00 0.00 +0.023 A ATOM 14 C LIG 1 4.426 1.476 -2.623 0.00 0.00 +0.003 A ATOM 15 C LIG 1 5.484 0.978 -1.869 0.00 0.00 +0.015 A BRANCH 10 17 ATOM 16 O LIG 1 6.183 -0.933 1.167 0.00 0.00 -0.245 OA ATOM 17 C LIG 1 6.315 -0.295 0.139 0.00 0.00 +0.337 C BRANCH 17 18 ATOM 18 O LIG 1 7.538 -0.021 -0.352 0.00 0.00 -0.477 OA ATOM 19 H LIG 1 8.143 -0.441 0.295 0.00 0.00 +0.295 HD ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 8 12 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 N LIG 1 -2.648 -0.754 1.310 0.00 0.00 -0.296 N ATOM 21 H LIG 1 -2.999 -0.574 2.258 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.522 -0.258 0.311 0.00 0.00 +0.047 A ATOM 23 C LIG 1 -4.777 0.310 0.639 0.00 0.00 +0.080 A ATOM 24 C LIG 1 -5.643 0.757 -0.375 0.00 0.00 +0.017 A ATOM 25 C LIG 1 -5.285 0.633 -1.717 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.066 0.058 -2.054 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -3.200 -0.387 -1.051 0.00 0.00 +0.024 A BRANCH 23 28 ATOM 28 C LIG 1 -5.176 0.455 2.065 0.00 0.00 +0.339 C ATOM 29 O LIG 1 -4.486 0.159 3.027 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 -6.412 0.959 2.231 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 -6.532 0.991 3.204 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 8