REMARK Name = LIG000485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.632 0.027 -0.094 0.00 0.00 -0.299 N ATOM 2 H LIG 1 1.296 0.270 -1.022 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 0.746 0.057 0.962 0.00 0.00 +0.253 C ATOM 4 O LIG 1 1.179 -0.027 2.111 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -0.668 0.209 0.630 0.00 0.00 +0.093 A ATOM 6 C LIG 1 -1.358 0.137 -0.571 0.00 0.00 +0.069 A ATOM 7 CL LIG 1 -0.599 -0.208 -2.081 0.00 0.00 -0.082 Cl ATOM 8 C LIG 1 -2.792 0.370 -0.437 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -3.111 0.598 0.910 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -4.431 0.851 1.349 0.00 0.00 +0.016 A ATOM 11 C LIG 1 -5.472 0.879 0.426 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -5.210 0.661 -0.913 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -3.900 0.411 -1.335 0.00 0.00 +0.051 A ATOM 14 CL LIG 1 -3.630 0.151 -3.007 0.00 0.00 -0.083 Cl ATOM 15 S LIG 1 -1.735 0.530 1.925 0.00 0.00 -0.082 S ENDBRANCH 3 5 BRANCH 1 22 ATOM 16 O LIG 1 5.680 -2.377 0.148 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 4.872 -1.487 -0.061 0.00 0.00 +0.221 C ATOM 18 N LIG 1 4.924 -0.624 -1.106 0.00 0.00 -0.255 N ATOM 19 H LIG 1 5.580 -0.736 -1.863 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 3.812 0.145 -1.191 0.00 0.00 +0.240 C ATOM 21 O LIG 1 3.462 0.792 -2.166 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 3.066 0.046 0.125 0.00 0.00 +0.168 C ATOM 23 C LIG 1 3.635 -1.224 0.749 0.00 0.00 +0.128 C ENDBRANCH 1 22 TORSDOF 2