REMARK Name = BDB011567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.061 -0.301 0.225 0.00 0.00 +0.245 C ATOM 2 N LIG 1 -0.282 -1.085 1.053 0.00 0.00 -0.257 N ATOM 3 C LIG 1 1.090 -0.630 1.354 0.00 0.00 +0.171 C ATOM 4 C LIG 1 1.597 -1.465 2.535 0.00 0.00 +0.069 C ATOM 5 C LIG 1 0.572 -2.555 2.590 0.00 0.00 -0.024 A ATOM 6 C LIG 1 0.619 -3.682 3.400 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.443 -4.579 3.347 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.526 -4.334 2.494 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.564 -3.189 1.686 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -0.511 -2.293 1.739 0.00 0.00 +0.040 A ATOM 11 O LIG 1 -0.572 0.729 -0.275 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.018 -0.830 0.138 0.00 0.00 +0.235 C ATOM 13 N LIG 1 3.169 -0.065 0.185 0.00 0.00 -0.310 N ATOM 14 H LIG 1 3.164 0.766 0.764 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 1.800 -1.631 -0.769 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C LIG 1 4.080 -0.074 -0.936 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 5.285 0.786 -0.646 0.00 0.00 -0.025 A ATOM 18 C LIG 1 5.315 2.169 -0.936 0.00 0.00 -0.046 A ATOM 19 C LIG 1 4.157 2.864 -1.600 0.00 0.00 +0.044 C ATOM 20 C LIG 1 6.465 2.915 -0.620 0.00 0.00 +0.006 A ATOM 21 C LIG 1 7.561 2.310 -0.007 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.515 0.957 0.291 0.00 0.00 +0.124 A ATOM 23 F LIG 1 8.564 0.375 0.887 0.00 0.00 -0.205 F ATOM 24 C LIG 1 6.395 0.195 -0.018 0.00 0.00 +0.043 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 25 ATOM 25 C LIG 1 -2.524 -0.680 -0.102 0.00 0.00 +0.190 C BRANCH 25 26 ATOM 26 C LIG 1 -2.683 -1.690 -1.231 0.00 0.00 -0.018 A ATOM 27 C LIG 1 -1.632 -2.067 -2.080 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -1.840 -2.999 -3.100 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.100 -3.559 -3.294 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.158 -3.188 -2.469 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.952 -2.259 -1.448 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 33 ATOM 32 C LIG 1 -3.728 1.398 0.454 0.00 0.00 +0.231 C ATOM 33 N LIG 1 -3.207 0.552 -0.500 0.00 0.00 -0.299 N ATOM 34 H LIG 1 -2.869 0.970 -1.358 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 -3.793 1.101 1.646 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 -4.181 2.771 -0.093 0.00 0.00 +0.137 C ATOM 37 C LIG 1 -3.014 3.745 0.071 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 -5.904 4.484 0.258 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -5.414 3.165 0.613 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 -5.246 3.100 1.620 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 8