REMARK Name = BDB062531 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.467 1.057 0.014 0.00 0.00 +0.070 A ATOM 2 C LIG 1 1.192 -0.116 -0.246 0.00 0.00 +0.152 A ATOM 3 F LIG 1 0.501 -1.215 -0.601 0.00 0.00 -0.203 F ATOM 4 C LIG 1 2.586 -0.165 -0.129 0.00 0.00 +0.022 A ATOM 5 C LIG 1 3.251 1.008 0.253 0.00 0.00 +0.017 A ATOM 6 C LIG 1 2.554 2.204 0.521 0.00 0.00 -0.017 A ATOM 7 C LIG 1 1.155 2.208 0.403 0.00 0.00 +0.032 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.319 -1.392 -0.401 0.00 0.00 +0.022 A ATOM 9 C LIG 1 4.556 -1.716 0.121 0.00 0.00 +0.117 A ATOM 10 N LIG 1 4.872 -2.943 -0.384 0.00 0.00 -0.268 N ATOM 11 N LIG 1 3.930 -3.464 -1.180 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 2.986 -2.519 -1.194 0.00 0.00 +0.143 A BRANCH 10 13 ATOM 13 C LIG 1 6.115 -3.669 -0.055 0.00 0.00 +0.107 C ATOM 14 C LIG 1 7.485 -3.107 -0.355 0.00 0.00 +0.029 C ATOM 15 C LIG 1 6.983 -4.292 -1.123 0.00 0.00 +0.029 C ENDBRANCH 10 13 ENDBRANCH 4 8 BRANCH 1 17 ATOM 16 C LIG 1 -1.868 1.982 0.020 0.00 0.00 +0.250 C ATOM 17 N LIG 1 -0.936 0.976 -0.123 0.00 0.00 -0.279 N ATOM 18 H LIG 1 -1.284 0.073 -0.426 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -1.617 3.166 0.209 0.00 0.00 -0.270 OA BRANCH 16 27 ATOM 20 C LIG 1 -4.165 -1.916 1.021 0.00 0.00 +0.123 A ATOM 21 C LIG 1 -3.361 -0.846 0.882 0.00 0.00 +0.072 A ATOM 22 C LIG 1 -3.832 0.326 0.205 0.00 0.00 +0.062 A ATOM 23 N LIG 1 -5.177 0.336 -0.195 0.00 0.00 -0.312 N ATOM 24 C LIG 1 -5.472 1.580 -0.745 0.00 0.00 +0.090 A ATOM 25 C LIG 1 -4.301 2.323 -0.701 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -6.011 -0.777 -0.015 0.00 0.00 +0.095 A ATOM 27 C LIG 1 -3.252 1.534 -0.151 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.541 -1.890 0.570 0.00 0.00 +0.064 A BRANCH 24 29 ATOM 29 C LIG 1 -6.772 1.997 -1.256 0.00 0.00 +0.177 C ATOM 30 O LIG 1 -7.755 1.259 -1.314 0.00 0.00 -0.291 OA ATOM 31 C LIG 1 -6.893 3.423 -1.744 0.00 0.00 +0.093 C ENDBRANCH 24 29 BRANCH 20 33 ATOM 32 C LIG 1 -3.179 -3.991 0.815 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -3.780 -3.047 1.701 0.00 0.00 -0.495 OA ENDBRANCH 20 33 ENDBRANCH 16 27 ENDBRANCH 1 17 BRANCH 6 34 ATOM 34 C LIG 1 3.359 3.421 0.936 0.00 0.00 +0.142 C ATOM 35 C LIG 1 2.602 4.737 1.077 0.00 0.00 +0.043 C BRANCH 34 36 ATOM 36 O LIG 1 3.983 3.139 2.188 0.00 0.00 -0.387 OA ATOM 37 H LIG 1 3.298 2.767 2.771 0.00 0.00 +0.210 HD ENDBRANCH 34 36 ENDBRANCH 6 34 TORSDOF 8