REMARK Name = LIG000883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.840 -0.607 -0.138 0.00 0.00 +0.026 A ATOM 2 C LIG 1 1.456 -0.769 -0.288 0.00 0.00 +0.046 A ATOM 3 C LIG 1 0.549 0.265 0.001 0.00 0.00 +0.039 A ATOM 4 C LIG 1 1.075 1.466 0.500 0.00 0.00 +0.024 A ATOM 5 C LIG 1 2.448 1.619 0.712 0.00 0.00 +0.004 A ATOM 6 C LIG 1 3.322 0.577 0.413 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.867 0.086 -0.178 0.00 0.00 -0.255 N ATOM 8 C LIG 1 -1.388 -0.763 -1.161 0.00 0.00 +0.313 C ATOM 9 O LIG 1 -0.751 -1.445 -1.960 0.00 0.00 -0.252 OA ATOM 10 N LIG 1 -2.762 -0.812 -1.226 0.00 0.00 -0.240 N ATOM 11 H LIG 1 -3.133 -1.405 -1.954 0.00 0.00 +0.159 HD ATOM 12 C LIG 1 -3.636 -0.475 -0.231 0.00 0.00 +0.222 C ATOM 13 O LIG 1 -4.821 -0.792 -0.280 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -3.036 0.216 0.953 0.00 0.00 +0.115 C ATOM 15 C LIG 1 -1.798 0.970 0.517 0.00 0.00 +0.124 C ENDBRANCH 3 7 BRANCH 1 16 ATOM 16 N LIG 1 3.700 -1.699 -0.324 0.00 0.00 -0.358 N ATOM 17 H LIG 1 4.660 -1.433 -0.521 0.00 0.00 +0.142 HD ATOM 18 H LIG 1 3.347 -2.376 -0.995 0.00 0.00 +0.142 HD ENDBRANCH 1 16 TORSDOF 2