REMARK VINA RESULT: -5.4 2.147 3.615 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 12.245 5.046 -10.981 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 13.467 5.620 -10.436 0.00 0.00 0.065 C ATOM 3 C UNL d 1 13.876 4.839 -9.166 0.00 0.00 0.079 C ATOM 4 C UNL d 1 12.667 4.009 -8.964 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 11.795 4.166 -10.030 0.00 0.00 0.110 A ATOM 6 C UNL d 1 13.183 7.092 -10.119 0.00 0.00 0.046 C ATOM 7 C UNL d 1 14.544 5.516 -11.518 0.00 0.00 0.046 C ATOM 8 C UNL d 1 12.378 3.138 -7.927 0.00 0.00 0.010 A ATOM 9 C UNL d 1 10.602 3.467 -10.093 0.00 0.00 0.114 A ATOM 10 C UNL d 1 11.185 2.415 -7.983 0.00 0.00 0.003 A ATOM 11 C UNL d 1 10.303 2.567 -9.067 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 9.792 3.651 -11.232 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 10.236 3.308 -12.503 0.00 0.00 0.365 C ATOM 14 O UNL d 1 10.597 2.196 -12.871 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 10.251 4.356 -13.382 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 9.812 5.707 -13.139 0.00 0.00 0.151 C ATOM 17 H UNL d 1 10.589 4.107 -14.303 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2