REMARK Name = BDB020431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.607 -1.053 -0.224 0.00 0.00 +0.152 A ATOM 2 C LIG 1 1.217 -0.898 -0.258 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.159 0.107 -0.302 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.065 -0.750 -0.333 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.776 -2.240 -0.306 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.223 -2.949 -1.588 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.305 -2.918 0.962 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.260 -0.081 -0.412 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.385 -0.836 -0.496 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.348 -1.824 -0.325 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.312 1.149 -0.425 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.700 -2.156 -0.258 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.736 -3.014 -0.209 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.749 -4.030 -0.185 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.916 -2.358 -0.197 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.880 -0.141 -0.175 0.00 0.00 +0.249 C ATOM 17 N LIG 1 3.508 -0.011 -0.244 0.00 0.00 -0.265 N ATOM 18 H LIG 1 3.110 0.914 -0.281 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 5.538 -1.155 0.013 0.00 0.00 -0.270 OA BRANCH 16 22 ATOM 20 C LIG 1 7.424 2.608 0.334 0.00 0.00 +0.034 A ATOM 21 C LIG 1 6.702 1.423 0.495 0.00 0.00 +0.036 A ATOM 22 C LIG 1 5.612 1.145 -0.343 0.00 0.00 +0.039 A ATOM 23 C LIG 1 5.252 2.041 -1.358 0.00 0.00 +0.013 A ATOM 24 C LIG 1 5.975 3.219 -1.527 0.00 0.00 +0.003 A ATOM 25 C LIG 1 7.056 3.498 -0.686 0.00 0.00 +0.023 A BRANCH 20 27 ATOM 26 C LIG 1 8.986 2.333 2.263 0.00 0.00 +0.241 C ATOM 27 N LIG 1 8.535 2.967 1.126 0.00 0.00 -0.282 N ATOM 28 H LIG 1 9.018 3.813 0.858 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 8.443 1.421 2.872 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 11.241 3.424 2.099 0.00 0.00 +0.013 C ATOM 31 C LIG 1 10.238 2.914 2.825 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 22 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -4.721 -0.246 -0.559 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 C LIG 1 -5.646 -1.268 -1.208 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -5.652 -1.378 -2.610 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.452 -2.323 -3.253 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.253 -3.181 -2.506 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.251 -3.096 -1.115 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.449 -2.150 -0.471 0.00 0.00 +0.005 A ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 C LIG 1 -5.153 0.287 0.848 0.00 0.00 +0.111 C BRANCH 39 40 ATOM 40 N LIG 1 -6.515 0.861 0.948 0.00 0.00 -0.306 NA ATOM 41 C LIG 1 -6.641 2.082 0.150 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -6.844 1.145 2.347 0.00 0.00 +0.104 C ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 8