REMARK Name = BDB033490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.154 -0.741 0.422 0.00 0.00 -0.212 N ATOM 2 H LIG 1 0.208 -0.853 1.435 0.00 0.00 +0.174 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.446 -0.894 -0.176 0.00 0.00 +0.072 A ATOM 4 C LIG 1 2.536 -0.046 0.080 0.00 0.00 +0.071 A ATOM 5 C LIG 1 3.813 -0.302 -0.433 0.00 0.00 +0.020 A ATOM 6 C LIG 1 4.663 0.747 0.020 0.00 0.00 +0.066 A ATOM 7 C LIG 1 3.908 1.609 0.777 0.00 0.00 +0.103 A ATOM 8 CL LIG 1 6.320 0.898 -0.324 0.00 0.00 -0.081 Cl ATOM 9 C LIG 1 4.005 -1.451 -1.230 0.00 0.00 +0.011 A ATOM 10 C LIG 1 2.930 -2.309 -1.479 0.00 0.00 +0.003 A ATOM 11 N LIG 1 2.626 1.127 0.803 0.00 0.00 -0.358 N ATOM 12 H LIG 1 1.837 1.592 1.242 0.00 0.00 +0.165 HD ATOM 13 C LIG 1 1.672 -2.038 -0.948 0.00 0.00 +0.026 A ENDBRANCH 1 3 BRANCH 1 15 ATOM 14 O LIG 1 -0.133 1.700 1.002 0.00 0.00 -0.148 OA ATOM 15 S LIG 1 -0.656 0.718 0.067 0.00 0.00 +0.096 S ATOM 16 O LIG 1 -0.630 0.938 -1.362 0.00 0.00 -0.148 OA BRANCH 15 17 ATOM 17 C LIG 1 -2.373 0.505 0.514 0.00 0.00 +0.236 A ATOM 18 S LIG 1 -2.698 -0.137 2.067 0.00 0.00 -0.055 S ATOM 19 C LIG 1 -4.379 -0.030 1.744 0.00 0.00 +0.081 A ATOM 20 C LIG 1 -4.603 0.485 0.476 0.00 0.00 +0.153 A ATOM 21 N LIG 1 -3.429 0.789 -0.225 0.00 0.00 -0.216 NA BRANCH 20 22 ATOM 22 C LIG 1 -5.952 0.719 -0.148 0.00 0.00 +0.435 C ATOM 23 F LIG 1 -6.962 0.416 0.713 0.00 0.00 -0.164 F ATOM 24 F LIG 1 -6.145 -0.047 -1.252 0.00 0.00 -0.164 F ATOM 25 F LIG 1 -6.133 2.013 -0.516 0.00 0.00 -0.164 F ENDBRANCH 20 22 ENDBRANCH 15 17 ENDBRANCH 1 15 TORSDOF 4