REMARK Name = BDB000770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.744 -0.883 -0.144 0.00 0.00 -0.294 N ATOM 2 H LIG 1 0.918 -1.882 -0.104 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 7 ATOM 3 F LIG 1 -4.668 0.224 -0.704 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -3.363 -0.034 -0.552 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.797 -1.115 -1.210 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -1.434 -1.380 -1.047 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -0.627 -0.574 -0.225 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -1.228 0.514 0.422 0.00 0.00 +0.026 A ATOM 9 C LIG 1 -2.592 0.782 0.263 0.00 0.00 +0.040 A ENDBRANCH 1 7 BRANCH 1 10 ATOM 10 C LIG 1 1.802 -0.127 0.232 0.00 0.00 +0.164 A ATOM 11 S LIG 1 1.935 1.586 -0.000 0.00 0.00 -0.041 S ATOM 12 C LIG 1 3.490 1.547 0.659 0.00 0.00 +0.099 A ATOM 13 CL LIG 1 4.410 2.979 0.831 0.00 0.00 -0.074 Cl ATOM 14 C LIG 1 3.851 0.269 0.992 0.00 0.00 +0.140 A ATOM 15 N LIG 1 2.888 -0.688 0.728 0.00 0.00 -0.232 NA ENDBRANCH 1 10 TORSDOF 2