REMARK VINA RESULT: 13.6 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 17.306 -9.016 -5.306 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 16.958 -10.220 -3.299 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 17.545 -5.359 -3.244 0.00 0.00 0.103 C ATOM 4 C UNL d 1 17.303 -7.827 -3.219 0.00 0.00 0.042 C ATOM 5 C UNL d 1 17.476 -6.574 -2.548 0.00 0.00 0.057 C ATOM 6 C UNL d 1 17.344 -5.422 -4.629 0.00 0.00 0.103 C ATOM 7 C UNL d 1 17.340 -7.873 -4.611 0.00 0.00 0.075 C ATOM 8 C UNL d 1 17.325 -6.670 -5.285 0.00 0.00 0.072 C ATOM 9 C UNL d 1 16.996 -9.060 -2.616 0.00 0.00 0.142 C ATOM 10 C UNL d 1 17.159 -10.150 -4.610 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 17.728 -4.147 -2.597 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 19.071 -3.890 -2.144 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 19.769 -5.070 -1.437 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 21.179 -4.961 -0.818 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 21.386 -4.187 0.427 0.00 0.00 0.092 N ATOM 16 C UNL d 1 22.691 -4.455 1.069 0.00 0.00 0.298 C ATOM 17 C UNL d 1 22.846 -5.905 1.554 0.00 0.00 0.198 C ATOM 18 O UNL d 1 21.821 -6.259 2.491 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 20.509 -6.016 1.966 0.00 0.00 0.198 C ATOM 20 C UNL d 1 20.361 -4.568 1.453 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 17.146 -4.389 -5.506 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 17.116 -3.077 -4.971 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 16.539 -9.065 -1.284 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 15.965 -8.270 -1.060 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 17.086 -9.773 -0.204 0.00 0.00 0.035 A ATOM 26 C UNL d 1 17.857 -9.140 0.786 0.00 0.00 0.056 A ATOM 27 C UNL d 1 18.410 -9.869 1.840 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 19.334 -9.052 3.041 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 18.217 -11.241 1.901 0.00 0.00 0.138 A ATOM 30 F UNL d 1 18.728 -11.962 2.909 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 17.491 -11.895 0.910 0.00 0.00 0.046 A ATOM 32 C UNL d 1 16.936 -11.166 -0.143 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8