REMARK VINA RESULT: -3.6 1.964 2.218 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 0.025 1.503 10.509 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 0.026 0.947 8.268 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -0.563 1.073 9.520 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.402 0.351 7.563 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.983 0.640 9.614 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.764 0.979 10.720 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -4.066 0.521 10.753 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -4.620 -0.229 9.778 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.834 -0.553 8.727 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -2.518 -0.150 8.600 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.379 1.308 8.103 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.557 2.135 8.681 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.941 0.568 8.551 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2