REMARK VINA RESULT: -7.8 3.476 5.799 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 -6.437 0.721 4.430 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -8.069 -0.098 5.935 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -3.999 -2.657 5.003 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.101 -1.423 5.459 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.285 -2.595 5.560 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -3.515 -1.480 4.417 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -5.679 -0.356 4.670 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.384 -0.391 4.196 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.292 -1.175 6.165 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -7.625 0.781 5.044 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.213 -3.795 5.087 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -3.015 -4.307 6.419 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -1.661 -3.957 7.069 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -0.928 -2.623 6.813 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 0.551 -2.586 6.761 0.00 0.00 0.092 N ATOM 16 C UNL d 1 1.190 -3.010 8.025 0.00 0.00 0.298 C ATOM 17 C UNL d 1 0.880 -2.079 9.207 0.00 0.00 0.198 C ATOM 18 O UNL d 1 1.297 -0.734 8.942 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 0.743 -0.234 7.717 0.00 0.00 0.198 C ATOM 20 C UNL d 1 1.030 -1.183 6.535 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 -2.241 -1.200 4.001 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -1.695 0.054 4.374 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -7.601 -1.985 7.275 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -7.453 -2.964 7.103 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -8.419 -1.651 8.364 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -7.891 -1.124 9.555 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -8.722 -0.821 10.635 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -8.038 -0.160 12.070 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -10.085 -1.063 10.542 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -10.905 -0.769 11.561 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -10.624 -1.622 9.388 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -9.793 -1.924 8.307 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8