REMARK Name = BDB038911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.470 0.077 -0.222 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -6.393 1.126 -0.258 0.00 0.00 -0.038 A ATOM 3 C LIG 1 -5.008 0.829 -0.119 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -4.086 1.877 -0.165 0.00 0.00 +0.051 A ATOM 5 N LIG 1 -2.836 1.332 -0.002 0.00 0.00 -0.352 N ATOM 6 H LIG 1 -1.981 1.869 0.032 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -2.899 -0.036 0.124 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -1.883 -0.984 0.296 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -2.244 -2.280 0.477 0.00 0.00 -0.238 NA ATOM 10 CA LIG 1 -3.552 -2.633 0.437 0.00 0.00 +0.149 A ATOM 11 C LIG 1 -4.592 -1.733 0.234 0.00 0.00 +0.045 A ATOM 12 C LIG 1 -4.455 3.215 -0.340 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -5.812 3.484 -0.474 0.00 0.00 +0.126 A ATOM 14 F LIG 1 -6.210 4.752 -0.644 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -4.251 -0.379 0.082 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -6.764 2.475 -0.436 0.00 0.00 +0.042 A ENDROOT BRANCH 8 17 ATOM 17 C LIG 1 -0.452 -0.669 0.327 0.00 0.00 +0.003 A ATOM 18 C LIG 1 0.380 -1.234 1.311 0.00 0.00 +0.012 A ATOM 19 C LIG 1 1.747 -0.942 1.364 0.00 0.00 +0.025 A ATOM 20 C LIG 1 2.309 -0.068 0.434 0.00 0.00 +0.051 A ATOM 21 C LIG 1 1.513 0.466 -0.578 0.00 0.00 +0.025 A ATOM 22 C LIG 1 0.147 0.168 -0.630 0.00 0.00 +0.012 A BRANCH 20 23 ATOM 23 N LIG 1 3.718 0.240 0.424 0.00 0.00 -0.206 N ATOM 24 C LIG 1 4.256 0.733 1.715 0.00 0.00 +0.157 C BRANCH 23 25 ATOM 25 S LIG 1 4.658 -0.999 -0.321 0.00 0.00 +0.074 S ATOM 26 O LIG 1 4.106 -1.301 -1.626 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 4.884 -2.040 0.663 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 6.207 -0.171 -0.607 0.00 0.00 +0.109 A ATOM 29 C LIG 1 7.350 -0.554 0.100 0.00 0.00 +0.029 A ATOM 30 C LIG 1 8.555 0.106 -0.141 0.00 0.00 +0.002 A ATOM 31 C LIG 1 8.613 1.135 -1.085 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.469 1.505 -1.796 0.00 0.00 +0.002 A ATOM 33 C LIG 1 6.261 0.850 -1.561 0.00 0.00 +0.029 A ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 8 17 BRANCH 10 34 ATOM 34 C LIG 1 -3.825 -4.092 0.641 0.00 0.00 +0.355 C ATOM 35 O LIG 1 -3.013 -4.967 0.883 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 OXT LIG 1 -5.136 -4.402 0.534 0.00 0.00 -0.476 OA ATOM 37 HXT LIG 1 -5.141 -5.372 0.683 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 10 34 TORSDOF 6