REMARK VINA RESULT: -7.0 2.028 2.823 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 4.910 3.142 5.702 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 5.785 2.097 5.191 0.00 0.00 0.065 C ATOM 3 C UNL d 1 6.224 2.456 3.753 0.00 0.00 0.079 C ATOM 4 C UNL d 1 5.329 3.603 3.481 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 4.627 3.944 4.627 0.00 0.00 0.110 A ATOM 6 C UNL d 1 4.999 0.781 5.223 0.00 0.00 0.046 C ATOM 7 C UNL d 1 6.991 2.009 6.130 0.00 0.00 0.046 C ATOM 8 C UNL d 1 5.180 4.326 2.310 0.00 0.00 0.010 A ATOM 9 C UNL d 1 3.744 5.011 4.640 0.00 0.00 0.114 A ATOM 10 C UNL d 1 4.305 5.415 2.311 0.00 0.00 0.003 A ATOM 11 C UNL d 1 3.597 5.766 3.473 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 3.103 5.318 5.856 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 1.875 5.967 5.888 0.00 0.00 0.365 C ATOM 14 O UNL d 1 1.174 6.242 4.921 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.465 6.310 7.147 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 2.131 6.019 8.392 0.00 0.00 0.151 C ATOM 17 H UNL d 1 0.579 6.796 7.166 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2