REMARK Name = BDB058820 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.587 -0.134 0.632 0.00 0.00 -0.332 N ATOM 2 C LIG 1 -2.786 0.597 -0.534 0.00 0.00 +0.095 A ATOM 3 C LIG 1 -4.123 0.423 -0.897 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -4.629 1.019 -2.078 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -3.766 1.813 -2.842 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -2.439 2.004 -2.458 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -4.724 -0.382 0.107 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -1.919 1.387 -1.314 0.00 0.00 +0.145 A ATOM 9 C LIG 1 -3.787 -0.668 1.089 0.00 0.00 +0.128 A ENDROOT BRANCH 4 10 ATOM 10 O LIG 1 -5.950 0.793 -2.367 0.00 0.00 -0.494 OA ATOM 11 C LIG 1 -6.426 1.250 -3.626 0.00 0.00 +0.277 C ENDBRANCH 4 10 BRANCH 9 12 ATOM 12 C LIG 1 -3.964 -1.400 2.329 0.00 0.00 +0.353 C ATOM 13 O LIG 1 -3.094 -1.978 2.963 0.00 0.00 -0.243 OA BRANCH 12 14 ATOM 14 O LIG 1 -5.247 -1.364 2.766 0.00 0.00 -0.476 OA ATOM 15 H LIG 1 -5.808 -0.758 2.250 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 9 12 BRANCH 1 16 ATOM 16 C LIG 1 -1.292 -0.310 1.284 0.00 0.00 +0.122 C BRANCH 16 18 ATOM 17 C LIG 1 0.358 0.578 2.959 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -1.016 0.759 2.336 0.00 0.00 +0.018 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 8 19 ATOM 19 O LIG 1 -0.629 1.612 -0.906 0.00 0.00 -0.485 OA BRANCH 19 20 ATOM 20 C LIG 1 0.340 1.354 -1.925 0.00 0.00 +0.264 C BRANCH 20 21 ATOM 21 C LIG 1 1.663 1.121 -1.241 0.00 0.00 -0.010 A ATOM 22 C LIG 1 2.111 -0.179 -0.974 0.00 0.00 +0.020 A ATOM 23 C LIG 1 3.327 -0.418 -0.291 0.00 0.00 +0.042 A ATOM 24 C LIG 1 4.105 0.679 0.125 0.00 0.00 +0.075 A ATOM 25 N LIG 1 5.271 0.535 0.775 0.00 0.00 -0.242 NA ATOM 26 C LIG 1 5.722 -0.718 1.058 0.00 0.00 +0.148 A ATOM 27 C LIG 1 5.016 -1.858 0.681 0.00 0.00 +0.078 A ATOM 28 C LIG 1 3.648 1.962 -0.142 0.00 0.00 +0.029 A ATOM 29 C LIG 1 3.807 -1.712 0.007 0.00 0.00 +0.131 A ATOM 30 C LIG 1 2.442 2.194 -0.809 0.00 0.00 +0.009 A BRANCH 26 31 ATOM 31 C LIG 1 7.057 -0.884 1.771 0.00 0.00 +0.434 C ATOM 32 F LIG 1 7.484 0.228 2.433 0.00 0.00 -0.164 F ATOM 33 F LIG 1 8.064 -1.224 0.915 0.00 0.00 -0.164 F ATOM 34 F LIG 1 7.028 -1.880 2.707 0.00 0.00 -0.164 F ENDBRANCH 26 31 BRANCH 29 35 ATOM 35 O LIG 1 3.024 -2.760 -0.410 0.00 0.00 -0.494 OA ATOM 36 C LIG 1 3.408 -4.072 -0.016 0.00 0.00 +0.277 C ENDBRANCH 29 35 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 8 19 TORSDOF 10