REMARK Name = BDB062289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.072 0.589 -0.901 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.702 0.818 -0.721 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -3.155 0.941 0.569 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -1.675 1.158 0.787 0.00 0.00 +0.140 C ATOM 5 N LIG 1 -1.289 1.324 2.193 0.00 0.00 -0.265 N ATOM 6 C LIG 1 -2.177 1.265 3.236 0.00 0.00 +0.308 C ATOM 7 N LIG 1 -3.481 1.020 2.941 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -4.087 0.978 3.750 0.00 0.00 +0.156 HD ATOM 9 O LIG 1 -1.859 1.445 4.411 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 -4.005 0.866 1.666 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -5.373 0.649 1.502 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -5.906 0.507 0.218 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -7.519 2.227 -2.393 0.00 0.00 +0.070 C ATOM 14 C LIG 1 -6.675 1.117 -2.893 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -5.620 0.434 -2.232 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -5.192 -0.494 -3.157 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -4.159 -1.549 -3.173 0.00 0.00 +0.090 C ATOM 18 O LIG 1 -5.931 -0.366 -4.292 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 -6.864 0.640 -4.130 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 -0.830 0.101 0.079 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -0.919 -1.254 0.439 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -0.142 -2.214 -0.209 0.00 0.00 +0.000 A ATOM 23 C LIG 1 0.733 -1.835 -1.224 0.00 0.00 +0.000 A ATOM 24 C LIG 1 0.833 -0.495 -1.593 0.00 0.00 +0.000 A ATOM 25 C LIG 1 0.056 0.469 -0.948 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 0.117 1.569 2.507 0.00 0.00 +0.206 C BRANCH 26 27 ATOM 27 C LIG 1 0.900 0.269 2.764 0.00 0.00 +0.231 C ATOM 28 N LIG 1 2.190 0.292 2.256 0.00 0.00 -0.304 N ATOM 29 H LIG 1 2.301 0.866 1.428 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 0.445 -0.690 3.380 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 3.000 -0.918 2.257 0.00 0.00 +0.136 C ATOM 32 C LIG 1 3.401 -1.375 3.660 0.00 0.00 +0.036 C BRANCH 31 33 ATOM 33 C LIG 1 4.200 -0.626 1.395 0.00 0.00 +0.128 A ATOM 34 N LIG 1 5.318 0.027 1.859 0.00 0.00 -0.340 N ATOM 35 H LIG 1 5.463 0.347 2.806 0.00 0.00 +0.167 HD ATOM 36 C LIG 1 6.195 0.189 0.817 0.00 0.00 +0.067 A ATOM 37 C LIG 1 5.550 -0.383 -0.276 0.00 0.00 +0.101 A ATOM 38 C LIG 1 6.195 -0.380 -1.529 0.00 0.00 +0.064 A ATOM 39 C LIG 1 7.472 0.205 -1.623 0.00 0.00 +0.015 A ATOM 40 C LIG 1 8.089 0.771 -0.504 0.00 0.00 +0.003 A ATOM 41 C LIG 1 7.460 0.775 0.745 0.00 0.00 +0.028 A ATOM 42 N LIG 1 4.313 -0.873 0.104 0.00 0.00 -0.230 NA BRANCH 38 43 ATOM 43 C LIG 1 5.575 -0.972 -2.737 0.00 0.00 +0.244 C ATOM 44 O LIG 1 6.145 -0.963 -3.821 0.00 0.00 -0.270 OA ATOM 45 N LIG 1 4.340 -1.536 -2.598 0.00 0.00 -0.325 N ATOM 46 H LIG 1 3.932 -2.011 -3.389 0.00 0.00 +0.145 HD ATOM 47 H LIG 1 3.896 -1.599 -1.683 0.00 0.00 +0.145 HD ENDBRANCH 38 43 ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7