REMARK Name = BDB019580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.269 -1.310 -0.680 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.997 -2.505 -0.739 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.255 -2.614 -0.130 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.782 -1.493 0.532 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.075 -0.281 0.591 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.814 -0.200 -0.021 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.012 -3.868 -0.199 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.072 -4.789 0.862 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -2.334 -4.554 2.151 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -3.786 -5.944 0.802 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -4.449 -6.205 -0.342 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -5.152 -7.344 -0.405 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -4.446 -5.372 -1.443 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -3.719 -4.189 -1.367 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.945 -0.315 -0.880 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.792 0.019 0.061 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.059 -1.257 -1.356 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.313 -2.049 -2.254 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.333 -0.287 -1.326 0.00 0.00 +0.125 C BRANCH 19 23 ATOM 20 C LIG 1 4.835 4.118 0.694 0.00 0.00 +0.044 C ATOM 21 C LIG 1 4.858 2.620 0.654 0.00 0.00 -0.047 A ATOM 22 C LIG 1 4.105 1.921 -0.294 0.00 0.00 +0.028 A ATOM 23 C LIG 1 4.179 0.525 -0.343 0.00 0.00 +0.062 A ATOM 24 N LIG 1 4.944 -0.180 0.531 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 5.678 0.515 1.426 0.00 0.00 +0.111 A ATOM 26 C LIG 1 5.674 1.896 1.521 0.00 0.00 +0.023 A ENDBRANCH 19 23 BRANCH 19 27 ATOM 27 C LIG 1 3.423 0.285 -2.726 0.00 0.00 +0.015 C ATOM 28 C LIG 1 4.718 0.216 -3.505 0.00 0.00 +0.006 C ATOM 29 C LIG 1 3.549 -0.626 -3.926 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.660 0.915 1.308 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -2.759 2.036 0.394 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -3.155 1.764 -0.502 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.296 3.215 0.773 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -2.968 3.699 1.998 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -1.990 3.576 2.228 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -3.432 5.072 2.042 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -4.409 5.105 0.863 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -4.083 3.923 0.018 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8