REMARK VINA RESULT: -6.2 2.070 3.880 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 -6.212 -3.639 -0.323 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.149 -3.547 -1.313 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.224 -2.172 -2.016 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -6.523 -1.683 -1.505 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -7.018 -2.553 -0.545 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.347 -4.695 -2.309 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -3.819 -3.718 -0.575 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -7.202 -0.521 -1.834 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -8.211 -2.298 0.110 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -8.399 -0.243 -1.170 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -8.898 -1.120 -0.193 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -8.622 -3.210 1.103 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -8.142 -3.134 2.405 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -8.144 -2.141 3.122 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -7.627 -4.313 2.871 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -7.595 -5.582 2.189 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -7.265 -4.251 3.813 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2