REMARK Name = BDB009328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.131 0.099 -0.595 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.142 1.123 -1.538 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.156 1.244 -2.440 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.177 2.053 -1.555 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.222 1.950 -0.630 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.248 0.904 0.303 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.194 -0.024 0.310 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.366 -2.084 -0.647 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.046 -0.901 -0.547 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -1.267 -0.483 -0.332 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -2.310 -1.512 -0.250 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.715 -0.951 -0.518 0.00 0.00 +0.128 C ATOM 13 N LIG 1 -4.051 0.192 0.355 0.00 0.00 -0.282 N ATOM 14 C LIG 1 -5.227 0.244 1.099 0.00 0.00 +0.305 C ATOM 15 N LIG 1 -6.347 -0.363 0.539 0.00 0.00 -0.285 N ATOM 16 C LIG 1 -7.485 -0.592 1.429 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -8.426 0.617 1.460 0.00 0.00 +0.019 C ATOM 18 C LIG 1 -8.871 0.987 0.041 0.00 0.00 +0.003 C ATOM 19 C LIG 1 -7.663 1.165 -0.885 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -6.737 -0.057 -0.842 0.00 0.00 +0.109 C ATOM 21 O LIG 1 -5.266 0.790 2.205 0.00 0.00 -0.252 OA ATOM 22 C LIG 1 -2.911 0.940 0.896 0.00 0.00 +0.128 C ATOM 23 C LIG 1 -1.678 0.898 -0.018 0.00 0.00 +0.127 C ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 4.372 0.787 1.310 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 5.186 -0.494 1.169 0.00 0.00 +0.087 A ATOM 26 C LIG 1 6.363 -0.508 0.224 0.00 0.00 +0.059 A ATOM 27 N LIG 1 6.673 0.594 -0.572 0.00 0.00 -0.342 N ATOM 28 H LIG 1 5.849 1.094 -0.883 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 7.713 0.504 -1.596 0.00 0.00 +0.102 C ATOM 30 C LIG 1 8.851 -0.382 -1.102 0.00 0.00 +0.023 C ATOM 31 C LIG 1 8.325 -1.754 -0.650 0.00 0.00 +0.044 C ATOM 32 C LIG 1 7.097 -1.632 0.211 0.00 0.00 +0.041 A ATOM 33 C LIG 1 6.708 -2.796 1.052 0.00 0.00 +0.270 A ATOM 34 O LIG 1 7.361 -3.840 1.064 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 5.574 -2.641 1.806 0.00 0.00 -0.243 N ATOM 36 H LIG 1 5.277 -3.437 2.385 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 4.820 -1.510 1.901 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 3