REMARK VINA RESULT: -6.7 1.693 2.852 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_2 and C_12 REMARK 2 A between atoms: O_2 and C_15 REMARK I between atoms: N_4 and C_15 ROOT ATOM 1 O UNL d 1 4.231 2.937 5.193 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 5.044 1.754 4.943 0.00 0.00 0.065 C ATOM 3 C UNL d 1 5.993 2.029 3.754 0.00 0.00 0.079 C ATOM 4 C UNL d 1 5.442 3.313 3.267 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 4.462 3.773 4.132 0.00 0.00 0.110 A ATOM 6 C UNL d 1 4.088 0.595 4.638 0.00 0.00 0.046 C ATOM 7 C UNL d 1 5.831 1.460 6.222 0.00 0.00 0.046 C ATOM 8 C UNL d 1 5.816 4.049 2.155 0.00 0.00 0.010 A ATOM 9 C UNL d 1 3.814 4.977 3.912 0.00 0.00 0.114 A ATOM 10 C UNL d 1 5.183 5.273 1.928 0.00 0.00 0.003 A ATOM 11 C UNL d 1 4.194 5.744 2.808 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 2.860 5.393 4.863 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 1.622 5.894 4.480 0.00 0.00 0.365 C ATOM 14 O UNL d 1 1.158 5.894 3.345 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 0.901 6.428 5.512 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 1.265 6.462 6.906 0.00 0.00 0.151 C ATOM 17 H UNL d 1 0.006 6.804 5.228 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2