REMARK Name = BDB016250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.977 2.205 0.464 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.891 0.735 0.132 0.00 0.00 -0.028 A ATOM 3 C LIG 1 0.632 0.079 -0.001 0.00 0.00 +0.052 A ATOM 4 N LIG 1 -0.501 0.890 0.101 0.00 0.00 -0.339 N ATOM 5 H LIG 1 -0.464 1.518 0.899 0.00 0.00 +0.146 HD ATOM 6 C LIG 1 -1.829 0.439 -0.271 0.00 0.00 +0.076 C ATOM 7 C LIG 1 -2.239 -0.726 0.601 0.00 0.00 +0.118 C ATOM 8 C LIG 1 -1.781 -1.994 -0.046 0.00 0.00 +0.219 C ATOM 9 N LIG 1 -0.489 -2.146 -0.436 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -0.323 -3.085 -0.774 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -2.559 -2.941 -0.194 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -2.795 1.613 -0.097 0.00 0.00 +0.028 C ATOM 13 C LIG 1 0.634 -1.296 -0.337 0.00 0.00 +0.055 A ATOM 14 C LIG 1 1.858 -1.955 -0.568 0.00 0.00 +0.025 A ATOM 15 C LIG 1 3.076 -1.299 -0.433 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.093 0.039 -0.073 0.00 0.00 +0.005 A ENDROOT TORSDOF 0