REMARK VINA RESULT: -3.6 1.941 2.518 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 -0.557 1.636 12.500 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 0.691 3.274 11.457 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -0.147 2.166 11.471 0.00 0.00 0.265 C ATOM 4 H UNL d 1 1.210 3.508 10.613 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -0.531 1.628 10.139 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.804 1.853 9.614 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -2.101 1.300 8.384 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -1.229 0.563 7.665 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -0.008 0.351 8.207 0.00 0.00 0.117 A ATOM 10 C UNL d 1 0.386 0.853 9.432 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.125 3.826 12.680 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.677 4.661 12.470 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 0.287 4.196 13.154 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2