REMARK Name = BDB009380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.335 0.397 -0.433 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.346 1.694 -0.936 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.302 2.564 -0.579 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.641 2.110 -1.823 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.664 1.231 -2.187 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.715 -0.067 -1.654 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.699 -0.482 -0.780 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 4.967 -0.669 0.314 0.00 0.00 +0.094 C ATOM 9 C LIG 1 3.665 -0.576 1.121 0.00 0.00 +0.130 C ATOM 10 N LIG 1 2.671 -0.073 0.185 0.00 0.00 -0.296 N ATOM 11 C LIG 1 1.337 -0.050 0.546 0.00 0.00 +0.249 C ATOM 12 O LIG 1 0.930 -0.428 1.643 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.225 0.064 -1.154 0.00 0.00 +0.110 C ATOM 14 C LIG 1 4.726 0.173 -0.943 0.00 0.00 +0.043 C BRANCH 8 17 ATOM 15 C LIG 1 5.542 1.868 1.918 0.00 0.00 +0.109 C ATOM 16 C LIG 1 6.581 0.807 1.657 0.00 0.00 +0.213 C ATOM 17 N LIG 1 6.227 -0.375 1.014 0.00 0.00 -0.300 N ATOM 18 C LIG 1 7.287 -1.358 0.813 0.00 0.00 +0.132 C ATOM 19 O LIG 1 7.729 1.005 2.069 0.00 0.00 -0.276 OA ENDBRANCH 8 17 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 -2.835 -1.014 -2.026 0.00 0.00 +0.094 C BRANCH 20 21 ATOM 21 C LIG 1 -4.222 -0.438 -1.772 0.00 0.00 +0.087 A ATOM 22 C LIG 1 -4.775 -0.454 -0.372 0.00 0.00 +0.059 A ATOM 23 N LIG 1 -4.029 -0.924 0.704 0.00 0.00 -0.342 N ATOM 24 H LIG 1 -3.024 -0.797 0.596 0.00 0.00 +0.146 HD ATOM 25 C LIG 1 -4.480 -0.677 2.071 0.00 0.00 +0.102 C ATOM 26 C LIG 1 -5.992 -0.868 2.148 0.00 0.00 +0.023 C ATOM 27 C LIG 1 -6.712 0.009 1.115 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -6.029 0.001 -0.224 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -6.775 0.534 -1.385 0.00 0.00 +0.270 A ATOM 30 O LIG 1 -7.917 0.969 -1.275 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -6.111 0.525 -2.583 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -6.611 0.881 -3.391 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -4.860 0.037 -2.803 0.00 0.00 -0.174 NA ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 4