REMARK Name = BDB051434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.596 0.670 1.070 0.00 0.00 +0.137 A ATOM 2 S LIG 1 0.512 0.632 2.376 0.00 0.00 -0.061 S ATOM 3 C LIG 1 1.794 0.293 1.280 0.00 0.00 +0.041 A ATOM 4 C LIG 1 1.277 0.243 -0.015 0.00 0.00 +0.079 A ATOM 5 C LIG 1 2.156 -0.018 -1.085 0.00 0.00 +0.029 A ATOM 6 C LIG 1 3.518 -0.222 -0.834 0.00 0.00 +0.014 A ATOM 7 C LIG 1 4.026 -0.179 0.470 0.00 0.00 +0.056 A ATOM 8 C LIG 1 3.159 0.090 1.546 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.085 0.462 -0.119 0.00 0.00 -0.233 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 5.503 -0.380 0.723 0.00 0.00 +0.417 C ATOM 11 F LIG 1 5.763 -0.952 1.931 0.00 0.00 -0.166 F ATOM 12 F LIG 1 6.100 -1.180 -0.203 0.00 0.00 -0.166 F ATOM 13 F LIG 1 6.192 0.793 0.707 0.00 0.00 -0.166 F ENDBRANCH 7 10 BRANCH 1 14 ATOM 14 S LIG 1 -2.291 1.004 1.326 0.00 0.00 -0.081 S BRANCH 14 16 ATOM 15 C LIG 1 -2.752 -1.252 -0.305 0.00 0.00 +0.034 C ATOM 16 C LIG 1 -3.145 0.219 -0.110 0.00 0.00 +0.114 C ATOM 17 C LIG 1 -2.903 1.014 -1.401 0.00 0.00 +0.034 C BRANCH 16 18 ATOM 18 C LIG 1 -4.645 0.297 0.215 0.00 0.00 +0.321 C ATOM 19 O LIG 1 -5.447 1.112 -0.218 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 O LIG 1 -5.068 -0.629 1.103 0.00 0.00 -0.480 OA ATOM 21 H LIG 1 -6.015 -0.412 1.236 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 1 14 TORSDOF 5