REMARK Name = BDB030146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.727 1.908 -1.152 0.00 0.00 +0.262 C ATOM 2 N LIG 1 -1.511 1.985 -2.291 0.00 0.00 -0.228 N ATOM 3 H LIG 1 -1.505 1.256 -3.006 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 -0.879 2.689 -0.215 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 2.152 -0.199 0.126 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.204 0.828 -0.021 0.00 0.00 +0.026 A ATOM 7 C LIG 1 0.279 0.818 -1.077 0.00 0.00 +0.075 A ATOM 8 C LIG 1 0.305 -0.237 -1.988 0.00 0.00 +0.154 A ATOM 9 F LIG 1 -0.581 -0.281 -2.998 0.00 0.00 -0.203 F ATOM 10 C LIG 1 1.238 -1.262 -1.851 0.00 0.00 +0.077 A ATOM 11 CL LIG 1 1.262 -2.568 -2.975 0.00 0.00 -0.081 Cl ATOM 12 C LIG 1 2.160 -1.247 -0.803 0.00 0.00 +0.033 A BRANCH 5 16 ATOM 13 C LIG 1 5.679 -1.245 3.466 0.00 0.00 +0.150 C ATOM 14 N LIG 1 4.642 -0.602 2.701 0.00 0.00 -0.339 N ATOM 15 C LIG 1 3.994 -1.119 1.613 0.00 0.00 +0.115 A ATOM 16 C LIG 1 3.094 -0.144 1.234 0.00 0.00 +0.089 A ATOM 17 N LIG 1 3.192 0.942 2.075 0.00 0.00 -0.236 NA ATOM 18 C LIG 1 4.129 0.637 2.943 0.00 0.00 +0.199 A ENDBRANCH 5 16 ENDBRANCH 1 7 BRANCH 2 19 ATOM 19 N LIG 1 -2.797 2.776 -2.160 0.00 0.00 -0.108 NA ATOM 20 H LIG 1 -2.747 3.531 -1.462 0.00 0.00 +0.172 HD BRANCH 19 21 ATOM 21 S LIG 1 -4.246 1.888 -1.976 0.00 0.00 +0.074 S ATOM 22 O LIG 1 -5.209 2.749 -1.326 0.00 0.00 -0.152 OA ATOM 23 O LIG 1 -4.521 1.241 -3.242 0.00 0.00 -0.152 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.778 0.618 -0.821 0.00 0.00 +0.110 A ATOM 25 C LIG 1 -3.492 -0.669 -1.289 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -3.064 -1.629 -0.380 0.00 0.00 +0.119 A ATOM 27 C LIG 1 -2.939 -1.329 0.973 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -3.254 -0.050 1.435 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -3.681 0.930 0.539 0.00 0.00 +0.029 A BRANCH 26 30 ATOM 30 O LIG 1 -2.738 -2.890 -0.782 0.00 0.00 -0.507 OA ATOM 31 H LIG 1 -2.962 -2.994 -1.722 0.00 0.00 +0.292 HD ENDBRANCH 26 30 ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 6