REMARK VINA RESULT: -7.7 1.347 1.538 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 -14.306 21.913 -24.722 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -16.323 20.938 -23.963 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -15.307 21.211 -28.745 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -15.889 21.105 -26.338 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -16.231 20.963 -27.720 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -14.000 21.520 -28.346 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -14.651 21.638 -25.986 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -13.722 21.800 -26.993 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -16.655 20.669 -25.241 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -15.182 21.588 -23.764 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -15.641 21.088 -30.085 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -16.560 20.023 -30.393 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -17.203 20.086 -31.793 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -18.490 20.886 -32.089 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -19.116 21.705 -31.028 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -20.256 21.033 -30.367 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -21.436 20.763 -31.313 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -21.930 21.975 -31.898 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -20.889 22.715 -32.551 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -19.691 22.962 -31.611 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 -12.871 21.593 -29.118 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -11.641 21.248 -28.505 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -17.712 19.769 -25.472 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -17.424 18.934 -25.953 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -19.085 20.059 -25.478 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -19.850 20.055 -24.300 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -21.220 20.325 -24.333 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -22.118 20.328 -22.864 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -21.839 20.578 -25.548 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -23.151 20.851 -25.606 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -21.109 20.546 -26.732 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -19.740 20.278 -26.698 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8