REMARK Name = BDB018600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.544 3.662 -2.427 0.00 0.00 +0.032 C ATOM 2 C LIG 1 1.325 2.695 -1.258 0.00 0.00 +0.104 C ATOM 3 N LIG 1 2.265 2.928 -0.177 0.00 0.00 -0.308 N ATOM 4 C LIG 1 1.898 3.287 1.094 0.00 0.00 +0.151 A ATOM 5 N LIG 1 2.980 3.498 1.808 0.00 0.00 -0.133 NA ATOM 6 N LIG 1 4.061 3.157 1.038 0.00 0.00 -0.132 NA ATOM 7 C LIG 1 0.485 3.370 1.533 0.00 0.00 +0.184 C ATOM 8 N LIG 1 -0.360 2.583 0.634 0.00 0.00 -0.288 N ATOM 9 C LIG 1 -1.485 1.981 1.192 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -1.692 1.908 2.401 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 3.626 2.742 -0.139 0.00 0.00 +0.155 A ATOM 12 C LIG 1 -0.150 2.804 -0.799 0.00 0.00 +0.133 C ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 -2.475 1.332 0.321 0.00 0.00 +0.072 A ATOM 14 C LIG 1 -3.293 2.081 -0.520 0.00 0.00 +0.135 A ATOM 15 F LIG 1 -3.157 3.412 -0.604 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -4.252 1.451 -1.305 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -4.413 0.065 -1.227 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -3.626 -0.700 -0.349 0.00 0.00 -0.041 A ATOM 19 C LIG 1 -2.644 -0.054 0.416 0.00 0.00 +0.020 A BRANCH 18 20 ATOM 20 C LIG 1 -3.804 -2.199 -0.245 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 -5.253 -2.627 -0.055 0.00 0.00 +0.074 A ATOM 22 C LIG 1 -5.912 -2.466 1.267 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -7.246 -2.859 1.363 0.00 0.00 +0.050 A ATOM 24 C LIG 1 -7.943 -2.735 2.572 0.00 0.00 +0.014 A ATOM 25 C LIG 1 -7.298 -2.214 3.692 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.963 -1.821 3.603 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -7.920 -3.410 0.177 0.00 0.00 +0.272 A ATOM 28 O LIG 1 -9.092 -3.769 0.214 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 -7.161 -3.498 -0.964 0.00 0.00 -0.242 N ATOM 30 H LIG 1 -7.609 -3.882 -1.789 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -5.269 -1.947 2.396 0.00 0.00 +0.010 A ATOM 32 N LIG 1 -5.863 -3.118 -1.095 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 9 13 BRANCH 11 33 ATOM 33 C LIG 1 4.463 2.141 -1.229 0.00 0.00 +0.147 C ATOM 34 N LIG 1 4.935 0.830 -0.814 0.00 0.00 -0.257 N ATOM 35 C LIG 1 4.144 -0.286 -0.861 0.00 0.00 +0.404 C ATOM 36 O LIG 1 2.980 -0.271 -1.242 0.00 0.00 -0.226 OA ATOM 37 C LIG 1 6.346 0.837 -0.470 0.00 0.00 +0.112 C ATOM 38 C LIG 1 6.753 2.303 -0.500 0.00 0.00 +0.021 C ATOM 39 C LIG 1 5.755 2.927 -1.473 0.00 0.00 +0.032 C BRANCH 35 40 ATOM 40 O LIG 1 4.815 -1.393 -0.455 0.00 0.00 -0.445 OA BRANCH 40 41 ATOM 41 C LIG 1 4.165 -2.688 -0.410 0.00 0.00 +0.107 C ATOM 42 C LIG 1 3.742 -3.146 -1.810 0.00 0.00 +0.055 C ATOM 43 C LIG 1 5.244 -3.647 0.115 0.00 0.00 +0.055 C ATOM 44 C LIG 1 2.989 -2.689 0.574 0.00 0.00 +0.055 C ENDBRANCH 40 41 ENDBRANCH 35 40 ENDBRANCH 11 33 TORSDOF 6