REMARK Name = BDB035356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.906 -0.539 0.737 0.00 0.00 +0.241 C ATOM 2 N LIG 1 0.199 -0.870 -0.412 0.00 0.00 -0.267 N ATOM 3 C LIG 1 -1.169 -0.859 -0.575 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.149 -0.640 0.448 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -3.462 -0.702 0.167 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -3.900 -1.058 -1.224 0.00 0.00 +0.255 A ATOM 7 N LIG 1 -2.888 -1.206 -2.189 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -3.318 -1.581 -3.524 0.00 0.00 +0.152 C ATOM 9 O LIG 1 -5.097 -1.214 -1.463 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 -1.545 -1.115 -1.839 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -0.337 -1.271 -2.747 0.00 0.00 +0.023 C ATOM 12 C LIG 1 -0.173 -0.095 -3.724 0.00 0.00 +0.019 C ATOM 13 C LIG 1 -0.260 -2.610 -3.491 0.00 0.00 +0.019 C ATOM 14 C LIG 1 0.816 -1.206 -1.704 0.00 0.00 +0.126 C ATOM 15 O LIG 1 0.393 -0.019 1.734 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 16 ATOM 16 C LIG 1 2.431 -0.843 0.762 0.00 0.00 +0.165 C BRANCH 16 18 ATOM 17 C LIG 1 3.429 1.389 0.435 0.00 0.00 +0.230 C ATOM 18 N LIG 1 3.053 0.374 1.294 0.00 0.00 -0.302 N ATOM 19 H LIG 1 2.701 0.670 2.200 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 3.446 1.254 -0.788 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 3.808 2.707 1.145 0.00 0.00 +0.137 C ATOM 22 C LIG 1 2.533 3.492 1.441 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 6.047 2.993 0.245 0.00 0.00 +0.101 C ATOM 24 N LIG 1 4.692 3.529 0.291 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 4.305 3.508 -0.657 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 16 18 BRANCH 16 26 ATOM 26 C LIG 1 2.793 -2.106 1.609 0.00 0.00 -0.011 C ATOM 27 C LIG 1 4.324 -2.312 1.578 0.00 0.00 +0.013 C ATOM 28 C LIG 1 2.140 -3.364 1.003 0.00 0.00 +0.013 C ATOM 29 C LIG 1 2.354 -1.997 3.082 0.00 0.00 +0.013 C ENDBRANCH 16 26 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -4.533 -0.487 1.200 0.00 0.00 +0.078 C BRANCH 30 31 ATOM 31 C LIG 1 -5.061 0.928 1.220 0.00 0.00 -0.008 A ATOM 32 C LIG 1 -4.461 1.897 2.034 0.00 0.00 +0.130 A ATOM 33 F LIG 1 -3.429 1.560 2.821 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -4.914 3.210 2.054 0.00 0.00 +0.077 A ATOM 35 C LIG 1 -5.982 3.563 1.244 0.00 0.00 +0.126 A ATOM 36 F LIG 1 -6.429 4.826 1.254 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -6.598 2.627 0.419 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -6.137 1.309 0.404 0.00 0.00 +0.009 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7