REMARK Name = BDB030154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.309 1.203 1.554 0.00 0.00 +0.262 C ATOM 2 N LIG 1 0.684 0.968 0.617 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.736 0.062 0.147 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 -0.185 2.042 2.439 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.156 -0.819 0.057 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.998 -0.033 0.174 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -1.526 0.369 1.432 0.00 0.00 +0.075 A ATOM 8 C LIG 1 -2.221 -0.004 2.581 0.00 0.00 +0.154 A ATOM 9 F LIG 1 -1.774 0.349 3.796 0.00 0.00 -0.203 F ATOM 10 C LIG 1 -3.372 -0.782 2.474 0.00 0.00 +0.077 A ATOM 11 CL LIG 1 -4.236 -1.266 3.885 0.00 0.00 -0.081 Cl ATOM 12 C LIG 1 -3.839 -1.191 1.221 0.00 0.00 +0.033 A BRANCH 5 16 ATOM 13 C LIG 1 -5.732 -2.662 -3.769 0.00 0.00 +0.150 C ATOM 14 N LIG 1 -4.732 -2.029 -2.948 0.00 0.00 -0.339 N ATOM 15 C LIG 1 -4.770 -1.882 -1.589 0.00 0.00 +0.115 A ATOM 16 C LIG 1 -3.603 -1.222 -1.267 0.00 0.00 +0.089 A ATOM 17 N LIG 1 -2.869 -0.972 -2.406 0.00 0.00 -0.236 NA ATOM 18 C LIG 1 -3.574 -1.468 -3.398 0.00 0.00 +0.199 A ENDBRANCH 5 16 ENDBRANCH 1 7 BRANCH 2 19 ATOM 19 N LIG 1 2.058 1.584 0.949 0.00 0.00 -0.108 NA ATOM 20 H LIG 1 1.972 2.208 1.771 0.00 0.00 +0.172 HD BRANCH 19 21 ATOM 21 S LIG 1 3.268 0.420 1.282 0.00 0.00 +0.076 S ATOM 22 O LIG 1 3.541 0.432 2.700 0.00 0.00 -0.152 OA ATOM 23 O LIG 1 2.859 -0.794 0.598 0.00 0.00 -0.152 OA BRANCH 21 24 ATOM 24 C LIG 1 4.663 1.078 0.439 0.00 0.00 +0.142 A ATOM 25 C LIG 1 5.115 2.347 0.780 0.00 0.00 +0.151 A ATOM 26 F LIG 1 4.494 3.070 1.722 0.00 0.00 -0.203 F ATOM 27 C LIG 1 6.221 2.897 0.139 0.00 0.00 +0.060 A ATOM 28 C LIG 1 6.873 2.162 -0.849 0.00 0.00 +0.044 A ATOM 29 CL LIG 1 8.240 2.833 -1.649 0.00 0.00 -0.083 Cl ATOM 30 C LIG 1 6.426 0.885 -1.197 0.00 0.00 +0.022 A ATOM 31 C LIG 1 5.314 0.337 -0.552 0.00 0.00 +0.033 A ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 5