REMARK VINA RESULT: -5.0 2.987 4.618 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 34.269 6.775 31.477 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 35.174 7.811 30.998 0.00 0.00 0.065 C ATOM 3 C UNL d 1 35.041 9.061 31.897 0.00 0.00 0.079 C ATOM 4 C UNL d 1 33.850 8.689 32.693 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.476 7.384 32.414 0.00 0.00 0.110 A ATOM 6 C UNL d 1 34.790 8.123 29.547 0.00 0.00 0.046 C ATOM 7 C UNL d 1 36.593 7.240 31.052 0.00 0.00 0.046 C ATOM 8 C UNL d 1 33.170 9.442 33.636 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.405 6.788 33.059 0.00 0.00 0.114 A ATOM 10 C UNL d 1 32.096 8.850 34.305 0.00 0.00 0.003 A ATOM 11 C UNL d 1 31.720 7.525 34.029 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 32.117 5.444 32.749 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 32.973 4.413 33.118 0.00 0.00 0.365 C ATOM 14 O UNL d 1 33.183 4.017 34.258 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 33.615 3.827 32.062 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 33.448 4.126 30.662 0.00 0.00 0.151 C ATOM 17 H UNL d 1 34.249 3.087 32.335 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2