REMARK VINA RESULT: -6.6 0.000 0.000 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 -6.447 14.225 -17.881 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -6.253 13.058 -15.832 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.335 15.103 -17.940 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -4.281 14.002 -16.868 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.874 14.247 -16.969 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -3.253 15.780 -18.754 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -5.140 14.510 -17.840 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.615 15.415 -18.739 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -4.939 13.354 -15.807 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -6.940 13.471 -16.892 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -0.972 15.330 -18.049 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.393 16.106 -16.982 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.977 16.741 -17.293 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 2.315 16.100 -16.866 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 3.275 16.865 -16.038 0.00 0.00 0.092 N ATOM 16 C UNL d 1 4.464 16.078 -15.646 0.00 0.00 0.298 C ATOM 17 C UNL d 1 4.133 14.880 -14.743 0.00 0.00 0.198 C ATOM 18 O UNL d 1 3.473 15.295 -13.540 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 2.309 16.087 -13.814 0.00 0.00 0.198 C ATOM 20 C UNL d 1 2.636 17.274 -14.744 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 -3.019 16.816 -19.618 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.113 17.276 -20.394 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -4.244 13.161 -14.598 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -4.392 13.903 -13.935 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -3.132 12.334 -14.383 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.112 10.993 -14.804 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -2.002 10.182 -14.560 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -2.011 8.549 -15.108 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.914 10.697 -13.872 0.00 0.00 0.138 A ATOM 30 F UNL d 1 0.169 9.941 -13.635 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.928 12.009 -13.410 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -2.037 12.821 -13.656 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8