REMARK VINA RESULT: -4.8 2.612 2.716 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 31.314 75.093 105.190 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 31.105 77.107 106.299 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 31.786 75.955 105.927 0.00 0.00 0.265 C ATOM 4 H UNL d 1 31.419 77.646 107.103 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 33.154 75.803 106.488 0.00 0.00 0.036 A ATOM 6 C UNL d 1 33.827 76.893 107.042 0.00 0.00 0.036 A ATOM 7 C UNL d 1 35.107 76.685 107.519 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.734 75.491 107.481 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 35.061 74.458 106.925 0.00 0.00 0.117 A ATOM 10 C UNL d 1 33.782 74.562 106.415 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.789 77.311 105.833 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.752 78.234 105.390 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.645 76.655 105.050 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2