REMARK Name = BDB059536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.711 -0.142 -0.193 0.00 0.00 +0.128 A ATOM 2 N LIG 1 1.732 0.277 -0.954 0.00 0.00 -0.207 NA ATOM 3 C LIG 1 2.815 -0.507 -1.004 0.00 0.00 +0.191 A ATOM 4 N LIG 1 2.970 -1.658 -0.342 0.00 0.00 -0.218 NA ATOM 5 C LIG 1 1.940 -2.051 0.448 0.00 0.00 +0.150 A ATOM 6 C LIG 1 0.780 -1.306 0.546 0.00 0.00 +0.076 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.042 -3.351 1.228 0.00 0.00 +0.434 C ATOM 8 F LIG 1 3.285 -3.909 1.217 0.00 0.00 -0.164 F ATOM 9 F LIG 1 1.199 -4.308 0.744 0.00 0.00 -0.164 F ATOM 10 F LIG 1 1.711 -3.201 2.542 0.00 0.00 -0.164 F ENDBRANCH 5 7 BRANCH 1 11 ATOM 11 N LIG 1 -0.410 0.696 -0.132 0.00 0.00 -0.299 N ATOM 12 H LIG 1 -0.248 1.484 -0.755 0.00 0.00 +0.154 HD BRANCH 11 17 ATOM 13 C LIG 1 -5.160 1.877 0.890 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -4.110 0.943 0.350 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -2.729 1.249 0.421 0.00 0.00 -0.026 A ATOM 16 C LIG 1 -2.269 2.553 1.029 0.00 0.00 +0.046 C ATOM 17 C LIG 1 -1.782 0.344 -0.118 0.00 0.00 +0.036 A ATOM 18 C LIG 1 -2.232 -0.847 -0.707 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -3.589 -1.160 -0.745 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -4.520 -0.272 -0.218 0.00 0.00 +0.004 A ENDBRANCH 11 17 ENDBRANCH 1 11 BRANCH 3 21 ATOM 21 S LIG 1 4.165 0.075 -1.996 0.00 0.00 -0.075 S BRANCH 21 22 ATOM 22 C LIG 1 5.500 -0.121 -0.775 0.00 0.00 +0.197 C BRANCH 22 23 ATOM 23 C LIG 1 5.295 0.738 0.455 0.00 0.00 +0.315 C ATOM 24 O LIG 1 5.741 0.446 1.557 0.00 0.00 -0.250 OA BRANCH 23 25 ATOM 25 O LIG 1 4.642 1.904 0.241 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 4.319 1.992 -0.680 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7