REMARK VINA RESULT: -6.7 2.813 5.226 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 4.185 4.061 2.766 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 3.084 4.518 3.602 0.00 0.00 0.065 C ATOM 3 C UNL d 1 3.363 4.129 5.072 0.00 0.00 0.079 C ATOM 4 C UNL d 1 4.533 3.240 4.893 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 4.951 3.259 3.571 0.00 0.00 0.110 A ATOM 6 C UNL d 1 1.804 3.854 3.082 0.00 0.00 0.046 C ATOM 7 C UNL d 1 2.987 6.037 3.442 0.00 0.00 0.046 C ATOM 8 C UNL d 1 5.211 2.499 5.846 0.00 0.00 0.010 A ATOM 9 C UNL d 1 6.052 2.531 3.154 0.00 0.00 0.114 A ATOM 10 C UNL d 1 6.333 1.772 5.444 0.00 0.00 0.003 A ATOM 11 C UNL d 1 6.762 1.795 4.106 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 6.437 2.638 1.802 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 7.751 2.434 1.401 0.00 0.00 0.365 C ATOM 14 O UNL d 1 8.251 1.366 1.068 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 8.511 3.572 1.404 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 8.077 4.911 1.712 0.00 0.00 0.151 C ATOM 17 H UNL d 1 9.471 3.417 1.126 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2