REMARK Name = BDB019791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.359 0.874 1.957 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.457 0.932 0.598 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.693 0.844 0.057 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -2.829 0.686 0.848 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.711 0.623 2.247 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.439 0.728 2.812 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.765 0.962 -1.415 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.939 0.208 -2.292 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.076 -0.786 -1.788 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.037 0.400 -3.683 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.950 1.306 -4.207 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.033 1.470 -5.530 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.773 2.047 -3.374 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.679 1.875 -1.989 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.012 0.981 1.544 0.00 0.00 -0.306 N ATOM 16 H LIG 1 1.692 1.006 0.584 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.031 0.980 2.506 0.00 0.00 +0.263 C ATOM 18 O LIG 1 1.240 1.061 3.710 0.00 0.00 -0.269 OA BRANCH 15 19 ATOM 19 C LIG 1 3.394 1.230 1.855 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 5.319 0.978 -1.431 0.00 0.00 +0.124 A ATOM 21 C LIG 1 5.958 -0.255 -1.283 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.747 -1.018 -0.130 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.893 -0.546 0.869 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.287 0.712 0.761 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.497 1.460 -0.407 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 6.158 1.345 -3.631 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.424 1.816 -2.509 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 6.331 -2.218 0.160 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 7.349 -2.670 -0.725 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.936 0.447 3.109 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 -4.514 -0.857 2.875 0.00 0.00 -0.329 N ATOM 32 H LIG 1 -3.954 -1.650 3.166 0.00 0.00 +0.147 HD BRANCH 31 33 ATOM 33 C LIG 1 -5.600 -1.066 2.079 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -5.989 -2.471 1.711 0.00 0.00 +0.073 C ATOM 35 C LIG 1 -7.407 -2.237 1.253 0.00 0.00 +0.031 C ATOM 36 C LIG 1 -7.358 -0.807 0.751 0.00 0.00 +0.143 C ATOM 37 N LIG 1 -6.335 -0.126 1.568 0.00 0.00 -0.273 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9