REMARK Name = LIG000351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.152 -0.177 0.215 0.00 0.00 -0.300 N ATOM 2 H LIG 1 0.086 0.712 0.645 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 0.835 -0.797 -0.523 0.00 0.00 +0.247 C ATOM 4 O LIG 1 0.598 -1.734 -1.280 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 O LIG 1 -5.503 0.766 -0.038 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -4.356 0.335 -0.098 0.00 0.00 +0.219 C ATOM 7 N LIG 1 -3.479 0.788 -1.051 0.00 0.00 -0.255 N ATOM 8 H LIG 1 -3.830 1.557 -1.605 0.00 0.00 +0.158 HD ATOM 9 C LIG 1 -2.108 0.739 -0.946 0.00 0.00 +0.240 C ATOM 10 O LIG 1 -1.408 1.582 -1.503 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 -1.558 -0.406 -0.083 0.00 0.00 +0.160 C ATOM 12 C LIG 1 -2.379 -0.488 1.197 0.00 0.00 +0.041 C ATOM 13 C LIG 1 -3.840 -0.726 0.847 0.00 0.00 +0.098 C ENDBRANCH 1 11 BRANCH 3 14 ATOM 14 C LIG 1 2.230 -0.295 -0.374 0.00 0.00 +0.072 A ATOM 15 C LIG 1 2.571 0.780 0.449 0.00 0.00 +0.135 A ATOM 16 F LIG 1 1.637 1.433 1.161 0.00 0.00 -0.205 F ATOM 17 C LIG 1 3.892 1.214 0.557 0.00 0.00 +0.039 A ATOM 18 C LIG 1 4.896 0.571 -0.165 0.00 0.00 +0.003 A ATOM 19 C LIG 1 4.574 -0.504 -0.992 0.00 0.00 +0.001 A ATOM 20 C LIG 1 3.249 -0.935 -1.097 0.00 0.00 +0.016 A ENDBRANCH 3 14 TORSDOF 2