REMARK Name = BDB065315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.739 -1.512 -1.135 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.785 -1.354 -2.517 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.924 -1.007 -3.132 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.358 -1.552 -3.284 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.557 -1.916 -2.665 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.621 -2.080 -1.272 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.453 -1.898 -0.512 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -4.944 -0.980 -0.120 0.00 0.00 +0.033 C ATOM 9 C LIG 1 -3.924 0.036 0.444 0.00 0.00 +0.052 C ATOM 10 N LIG 1 -2.583 -0.093 -0.255 0.00 0.00 -0.285 N ATOM 11 C LIG 1 -1.954 -1.347 -0.319 0.00 0.00 +0.250 C ATOM 12 O LIG 1 -2.341 -2.350 0.275 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -1.909 1.107 -0.791 0.00 0.00 +0.165 C ATOM 14 C LIG 1 -2.302 2.316 -0.057 0.00 0.00 +0.076 A ATOM 15 N LIG 1 -3.571 2.455 0.397 0.00 0.00 -0.245 N ATOM 16 N LIG 1 -3.772 3.622 1.013 0.00 0.00 -0.065 NA ATOM 17 N LIG 1 -2.613 4.272 0.983 0.00 0.00 -0.138 NA ATOM 18 C LIG 1 -1.697 3.485 0.333 0.00 0.00 +0.161 A ATOM 19 C LIG 1 -4.572 1.435 0.248 0.00 0.00 +0.171 C ATOM 20 C LIG 1 -3.747 -0.209 1.960 0.00 0.00 +0.033 C ENDBRANCH 1 11 BRANCH 6 21 ATOM 21 C LIG 1 2.915 -2.499 -0.608 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 3.305 -1.609 0.565 0.00 0.00 +0.074 A ATOM 23 C LIG 1 3.919 -0.278 0.321 0.00 0.00 +0.011 A ATOM 24 C LIG 1 4.224 0.495 1.440 0.00 0.00 +0.050 A ATOM 25 C LIG 1 4.797 1.765 1.297 0.00 0.00 +0.014 A ATOM 26 C LIG 1 5.068 2.263 0.024 0.00 0.00 +0.001 A ATOM 27 C LIG 1 4.768 1.494 -1.100 0.00 0.00 +0.001 A ATOM 28 C LIG 1 3.940 -0.037 2.782 0.00 0.00 +0.272 A ATOM 29 O LIG 1 4.195 0.608 3.793 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 3.379 -1.289 2.828 0.00 0.00 -0.242 N ATOM 31 H LIG 1 3.173 -1.673 3.746 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 4.196 0.227 -0.955 0.00 0.00 +0.010 A ATOM 33 N LIG 1 3.060 -2.065 1.759 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 3