REMARK VINA RESULT: -6.0 3.088 6.035 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 12.598 -16.956 9.151 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 10.425 -16.910 8.216 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 13.031 -12.796 8.722 0.00 0.00 0.103 C ATOM 4 C UNL d 1 11.653 -14.846 8.502 0.00 0.00 0.042 C ATOM 5 C UNL d 1 11.806 -13.423 8.453 0.00 0.00 0.057 C ATOM 6 C UNL d 1 14.126 -13.638 8.954 0.00 0.00 0.103 C ATOM 7 C UNL d 1 12.704 -15.635 8.964 0.00 0.00 0.075 C ATOM 8 C UNL d 1 13.926 -15.021 9.146 0.00 0.00 0.072 C ATOM 9 C UNL d 1 10.549 -15.581 8.035 0.00 0.00 0.142 C ATOM 10 C UNL d 1 11.439 -17.532 8.807 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 13.177 -11.418 8.689 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 12.047 -10.669 9.176 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 11.161 -10.026 8.090 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 9.619 -10.014 8.164 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 8.933 -10.353 9.432 0.00 0.00 0.092 N ATOM 16 C UNL d 1 8.529 -11.773 9.515 0.00 0.00 0.298 C ATOM 17 C UNL d 1 7.486 -12.173 8.461 0.00 0.00 0.198 C ATOM 18 O UNL d 1 6.298 -11.378 8.568 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 6.588 -9.974 8.518 0.00 0.00 0.198 C ATOM 20 C UNL d 1 7.656 -9.577 9.557 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 15.452 -13.307 9.026 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 15.949 -12.879 10.283 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 9.619 -14.942 7.192 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 8.824 -14.577 7.687 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 9.481 -15.106 5.806 0.00 0.00 0.035 A ATOM 26 C UNL d 1 8.767 -16.183 5.254 0.00 0.00 0.056 A ATOM 27 C UNL d 1 8.661 -16.338 3.870 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 7.762 -17.662 3.233 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 9.288 -15.432 3.028 0.00 0.00 0.138 A ATOM 30 F UNL d 1 9.192 -15.553 1.696 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 10.034 -14.382 3.553 0.00 0.00 0.046 A ATOM 32 C UNL d 1 10.138 -14.225 4.936 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8