REMARK VINA RESULT: -4.2 1.451 1.910 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 8.029 -5.961 -5.398 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 8.626 -5.640 -6.687 0.00 0.00 0.065 C ATOM 3 C UNL d 1 9.046 -6.949 -7.394 0.00 0.00 0.079 C ATOM 4 C UNL d 1 8.858 -7.919 -6.293 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 8.270 -7.296 -5.203 0.00 0.00 0.110 A ATOM 6 C UNL d 1 9.835 -4.736 -6.422 0.00 0.00 0.046 C ATOM 7 C UNL d 1 7.575 -4.884 -7.503 0.00 0.00 0.046 C ATOM 8 C UNL d 1 9.146 -9.273 -6.273 0.00 0.00 0.010 A ATOM 9 C UNL d 1 7.959 -8.002 -4.052 0.00 0.00 0.114 A ATOM 10 C UNL d 1 8.825 -10.001 -5.125 0.00 0.00 0.003 A ATOM 11 C UNL d 1 8.222 -9.373 -4.022 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 7.323 -7.304 -3.006 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 5.945 -7.123 -2.984 0.00 0.00 0.365 C ATOM 14 O UNL d 1 5.132 -7.647 -3.735 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 5.519 -6.261 -2.010 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 6.324 -5.603 -1.012 0.00 0.00 0.151 C ATOM 17 H UNL d 1 4.518 -6.120 -2.006 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2