REMARK Name = BDB030956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.518 1.692 0.317 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.995 2.939 -0.017 0.00 0.00 +0.099 A ATOM 3 C LIG 1 2.238 2.931 -0.607 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.943 1.813 -0.864 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 2.383 0.647 -0.532 0.00 0.00 +0.216 A ATOM 6 N LIG 1 1.193 0.548 0.059 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.319 -0.690 0.253 0.00 0.00 +0.042 A ATOM 8 C LIG 1 -4.126 0.136 1.394 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.870 0.779 1.504 0.00 0.00 +0.052 A ATOM 10 C LIG 1 -1.870 0.680 0.535 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -0.764 1.479 0.968 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.094 1.994 2.204 0.00 0.00 +0.093 A ATOM 13 C LIG 1 -2.111 -0.112 -0.600 0.00 0.00 +0.012 A ATOM 14 N LIG 1 -2.361 1.576 2.509 0.00 0.00 -0.360 N ATOM 15 H LIG 1 -2.860 1.804 3.358 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -3.327 -0.793 -0.724 0.00 0.00 +0.024 A BRANCH 7 18 ATOM 17 C LIG 1 -5.971 -2.245 -0.816 0.00 0.00 +0.404 C ATOM 18 N LIG 1 -5.532 -1.405 0.164 0.00 0.00 -0.251 N ATOM 19 H LIG 1 -6.189 -1.306 0.924 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 -5.409 -2.565 -1.851 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 -7.792 -3.600 -1.392 0.00 0.00 +0.282 C ATOM 22 O LIG 1 -7.201 -2.702 -0.451 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 -5.120 0.338 2.515 0.00 0.00 +0.023 C ATOM 24 C LIG 1 -6.516 0.846 2.218 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.546 1.731 2.932 0.00 0.00 +0.009 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 C LIG 1 0.271 4.210 0.221 0.00 0.00 +0.421 C ATOM 27 F LIG 1 0.829 5.266 -0.443 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.030 4.193 -0.175 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.268 4.583 1.532 0.00 0.00 -0.166 F ENDBRANCH 2 26 BRANCH 5 30 ATOM 30 N LIG 1 3.024 -0.553 -0.791 0.00 0.00 -0.309 N ATOM 31 H LIG 1 2.546 -1.236 -0.210 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 4.481 -0.542 -0.684 0.00 0.00 +0.087 C ATOM 33 C LIG 1 5.144 -0.030 -1.995 0.00 0.00 +0.103 C ATOM 34 N LIG 1 6.505 -0.535 -2.269 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 6.430 -1.359 -2.867 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 7.198 -0.898 -1.032 0.00 0.00 +0.051 C ATOM 37 C LIG 1 8.648 -1.258 -1.348 0.00 0.00 +0.024 C ATOM 38 C LIG 1 6.485 -2.069 -0.337 0.00 0.00 +0.020 C ATOM 39 C LIG 1 4.957 -1.974 -0.405 0.00 0.00 +0.025 C ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7