REMARK Name = BDB064480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.752 -0.609 1.120 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.671 -1.497 1.058 0.00 0.00 +0.037 A ATOM 3 C LIG 1 0.332 -2.132 -0.142 0.00 0.00 +0.043 A ATOM 4 N LIG 1 -0.820 -2.926 -0.125 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -1.186 -3.266 0.756 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -1.647 -3.204 -1.185 0.00 0.00 +0.260 C ATOM 7 C LIG 1 -1.440 -2.428 -2.516 0.00 0.00 +0.279 C ATOM 8 N LIG 1 -0.198 -2.886 -3.135 0.00 0.00 -0.251 NA ATOM 9 C LIG 1 0.939 -2.707 -2.550 0.00 0.00 +0.077 C ATOM 10 O LIG 1 -2.502 -4.084 -1.051 0.00 0.00 -0.271 OA ATOM 11 C LIG 1 1.145 -1.950 -1.272 0.00 0.00 +0.022 A ATOM 12 C LIG 1 2.219 -1.044 -1.211 0.00 0.00 +0.012 A ATOM 13 C LIG 1 2.515 -0.366 -0.025 0.00 0.00 +0.014 A ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 2.143 -3.289 -3.226 0.00 0.00 +0.001 A ATOM 15 C LIG 1 3.177 -3.874 -2.484 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.287 -4.412 -3.139 0.00 0.00 +0.001 A ATOM 17 C LIG 1 4.362 -4.375 -4.532 0.00 0.00 +0.000 A ATOM 18 C LIG 1 3.325 -3.812 -5.274 0.00 0.00 +0.001 A ATOM 19 C LIG 1 2.213 -3.274 -4.624 0.00 0.00 +0.010 A ENDBRANCH 9 14 BRANCH 1 22 ATOM 20 N LIG 1 3.303 0.433 2.683 0.00 0.00 -0.309 N ATOM 21 H LIG 1 4.036 0.274 2.006 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 1.998 0.106 2.399 0.00 0.00 +0.244 C ATOM 23 O LIG 1 1.055 0.372 3.136 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 3.637 1.305 3.797 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 3.463 2.779 3.430 0.00 0.00 +0.178 C BRANCH 25 27 ATOM 26 C LIG 1 4.254 4.467 1.986 0.00 0.00 +0.194 C ATOM 27 O LIG 1 4.386 3.107 2.382 0.00 0.00 -0.381 OA ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 7 28 ATOM 28 N LIG 1 -1.385 -0.990 -2.419 0.00 0.00 -0.282 N ATOM 29 H LIG 1 -0.700 -0.537 -3.003 0.00 0.00 +0.151 HD ATOM 30 C LIG 1 -2.438 -0.259 -1.936 0.00 0.00 +0.246 C ATOM 31 O LIG 1 -3.443 -0.727 -1.425 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.242 1.203 -2.026 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -2.103 1.990 -0.869 0.00 0.00 -0.021 A ATOM 34 C LIG 1 -1.893 3.372 -1.035 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -1.831 3.945 -2.307 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.977 3.150 -3.441 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -2.182 1.779 -3.304 0.00 0.00 +0.013 A BRANCH 33 38 ATOM 38 C LIG 1 -2.143 1.413 0.536 0.00 0.00 +0.120 C BRANCH 38 39 ATOM 39 N LIG 1 -3.187 2.033 1.359 0.00 0.00 -0.294 NA ATOM 40 C LIG 1 -2.982 1.834 2.807 0.00 0.00 +0.116 C ATOM 41 C LIG 1 -3.476 0.502 3.424 0.00 0.00 +0.129 C ATOM 42 C LIG 1 -2.527 -0.677 3.248 0.00 0.00 +0.039 C ATOM 43 O LIG 1 -4.798 0.162 2.979 0.00 0.00 -0.374 OA ATOM 44 C LIG 1 -4.925 0.202 1.552 0.00 0.00 +0.175 C ATOM 45 C LIG 1 -4.548 1.583 0.999 0.00 0.00 +0.113 C ENDBRANCH 38 39 ENDBRANCH 33 38 ENDBRANCH 30 32 ENDBRANCH 7 28 TORSDOF 9