REMARK Name = BDB038909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.482 -0.969 0.145 0.00 0.00 +0.096 A ATOM 2 C LIG 1 3.239 0.204 0.073 0.00 0.00 +0.074 A ATOM 3 N LIG 1 2.850 1.518 -0.081 0.00 0.00 -0.352 N ATOM 4 H LIG 1 1.888 1.823 -0.152 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 3.941 2.353 -0.108 0.00 0.00 +0.053 A ATOM 6 C LIG 1 5.073 1.555 0.059 0.00 0.00 +0.043 A ATOM 7 C LIG 1 6.334 2.185 0.076 0.00 0.00 +0.136 A ATOM 8 F LIG 1 7.452 1.461 0.235 0.00 0.00 -0.205 F ATOM 9 C LIG 1 6.438 3.566 -0.074 0.00 0.00 +0.077 A ATOM 10 C LIG 1 5.287 4.322 -0.237 0.00 0.00 +0.128 A ATOM 11 F LIG 1 5.396 5.650 -0.379 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.016 3.744 -0.257 0.00 0.00 +0.064 A ATOM 13 C LIG 1 4.628 0.202 0.187 0.00 0.00 +0.014 A ATOM 14 C LIG 1 5.283 -1.022 0.392 0.00 0.00 +0.045 A ATOM 15 CA LIG 1 4.482 -2.155 0.484 0.00 0.00 +0.149 A ATOM 16 N LIG 1 3.129 -2.139 0.372 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -1.785 -1.065 -0.193 0.00 0.00 +0.051 A ATOM 18 C LIG 1 -1.155 -1.629 0.917 0.00 0.00 +0.025 A ATOM 19 C LIG 1 0.240 -1.613 1.010 0.00 0.00 +0.012 A ATOM 20 C LIG 1 1.026 -1.008 0.015 0.00 0.00 +0.003 A ATOM 21 C LIG 1 0.373 -0.445 -1.094 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -1.022 -0.465 -1.193 0.00 0.00 +0.025 A BRANCH 17 24 ATOM 23 C LIG 1 -3.914 -2.305 -0.179 0.00 0.00 +0.157 C ATOM 24 N LIG 1 -3.220 -1.001 -0.309 0.00 0.00 -0.206 N BRANCH 24 25 ATOM 25 S LIG 1 -3.895 0.277 0.629 0.00 0.00 +0.074 S ATOM 26 O LIG 1 -4.023 -0.191 1.996 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -3.202 1.512 0.323 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -5.530 0.425 -0.057 0.00 0.00 +0.109 A ATOM 29 C LIG 1 -5.673 0.903 -1.363 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -6.949 1.025 -1.911 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -8.070 0.676 -1.154 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.921 0.209 0.154 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.648 0.084 0.710 0.00 0.00 +0.029 A ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 15 34 ATOM 34 C LIG 1 5.084 -3.506 0.724 0.00 0.00 +0.355 C ATOM 35 O LIG 1 4.492 -4.564 0.843 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 OXT LIG 1 6.432 -3.475 0.806 0.00 0.00 -0.476 OA ATOM 37 HXT LIG 1 6.667 -4.415 0.960 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 15 34 TORSDOF 6