REMARK Name = BDB062740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.210 0.153 -0.244 0.00 0.00 +0.129 C ENDROOT BRANCH 1 8 ATOM 2 O LIG 1 -6.625 0.260 1.064 0.00 0.00 -0.262 OA ATOM 3 C LIG 1 -5.436 0.219 0.783 0.00 0.00 +0.313 A ATOM 4 C LIG 1 -4.702 -1.114 0.481 0.00 0.00 +0.314 A ATOM 5 O LIG 1 -5.273 -2.194 0.518 0.00 0.00 -0.262 OA ATOM 6 N LIG 1 -3.362 -0.996 0.164 0.00 0.00 -0.320 N ATOM 7 H LIG 1 -2.876 -1.871 0.002 0.00 0.00 +0.169 HD ATOM 8 C LIG 1 -2.673 0.198 0.128 0.00 0.00 +0.045 A ATOM 9 C LIG 1 -3.321 1.344 0.393 0.00 0.00 +0.108 A ATOM 10 N LIG 1 -4.654 1.355 0.709 0.00 0.00 -0.323 N ATOM 11 H LIG 1 -5.131 2.226 0.910 0.00 0.00 +0.169 HD ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 S LIG 1 -0.264 -0.732 1.040 0.00 0.00 -0.119 S BRANCH 12 13 ATOM 13 C LIG 1 1.389 -0.480 0.425 0.00 0.00 +0.008 A ATOM 14 C LIG 1 2.315 0.202 1.218 0.00 0.00 +0.015 A ATOM 15 C LIG 1 3.621 0.408 0.764 0.00 0.00 +0.013 A ATOM 16 C LIG 1 4.026 -0.082 -0.487 0.00 0.00 +0.055 A ATOM 17 C LIG 1 3.094 -0.771 -1.276 0.00 0.00 +0.013 A ATOM 18 C LIG 1 1.788 -0.975 -0.820 0.00 0.00 +0.015 A BRANCH 16 19 ATOM 19 C LIG 1 5.431 0.158 -0.988 0.00 0.00 +0.417 C ATOM 20 F LIG 1 6.348 0.255 0.013 0.00 0.00 -0.166 F ATOM 21 F LIG 1 5.879 -0.831 -1.810 0.00 0.00 -0.166 F ATOM 22 F LIG 1 5.531 1.313 -1.702 0.00 0.00 -0.166 F ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 1 12 TORSDOF 4