REMARK Name = BDB038508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.650 2.538 0.610 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.517 1.892 0.456 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.556 0.721 -0.202 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.609 0.147 -0.709 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.839 0.797 -0.541 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.836 2.033 0.108 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.804 0.081 -0.366 0.00 0.00 -0.248 N ATOM 8 C LIG 1 3.006 0.539 0.174 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.264 1.475 0.908 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.051 -0.378 -0.298 0.00 0.00 +0.046 A ATOM 11 C LIG 1 5.409 -0.351 -0.042 0.00 0.00 +0.059 A ATOM 12 C LIG 1 6.205 -1.345 -0.613 0.00 0.00 +0.121 A ATOM 13 C LIG 1 5.619 -2.339 -1.421 0.00 0.00 +0.058 A ATOM 14 C LIG 1 4.231 -2.356 -1.673 0.00 0.00 +0.064 A ATOM 15 C LIG 1 3.461 -1.353 -1.093 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.989 -1.110 -1.170 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.597 -3.418 -2.529 0.00 0.00 +0.418 C ATOM 18 F LIG 1 2.889 -2.889 -3.564 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.484 -4.287 -3.080 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.709 -4.175 -1.826 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 O LIG 1 7.536 -1.246 -0.310 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 8.412 -2.202 -0.894 0.00 0.00 +0.277 C ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 23 ATOM 23 C LIG 1 -3.097 0.195 -1.029 0.00 0.00 -0.007 A ATOM 24 C LIG 1 -4.215 -0.039 -0.190 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -5.403 -0.567 -0.730 0.00 0.00 +0.031 A ATOM 26 C LIG 1 -5.491 -0.889 -2.087 0.00 0.00 +0.052 A ATOM 27 C LIG 1 -4.390 -0.679 -2.916 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -3.211 -0.139 -2.393 0.00 0.00 +0.010 A BRANCH 24 29 ATOM 29 C LIG 1 -4.213 0.277 1.238 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -3.479 -0.347 2.217 0.00 0.00 -0.317 N ATOM 31 C LIG 1 -2.587 -1.467 2.090 0.00 0.00 +0.152 C ATOM 32 C LIG 1 -3.774 0.291 3.383 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -4.647 1.242 3.154 0.00 0.00 -0.138 NA ATOM 34 N LIG 1 -4.936 1.223 1.811 0.00 0.00 -0.129 NA ENDBRANCH 24 29 BRANCH 26 35 ATOM 35 C LIG 1 -6.703 -1.434 -2.623 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.676 -1.890 -3.061 0.00 0.00 -0.191 NA ENDBRANCH 26 35 ENDBRANCH 5 23 BRANCH 1 37 ATOM 37 N LIG 1 -0.576 3.756 1.279 0.00 0.00 -0.329 N ATOM 38 H LIG 1 0.410 3.831 1.538 0.00 0.00 +0.147 HD BRANCH 37 40 ATOM 39 C LIG 1 -2.519 4.952 2.150 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -1.456 3.905 2.435 0.00 0.00 +0.099 C ENDBRANCH 37 40 ENDBRANCH 1 37 TORSDOF 8