REMARK VINA RESULT: 6.7 3.305 5.361 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 5.086 -5.059 16.664 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 4.742 -4.119 14.520 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 4.807 -8.974 15.155 0.00 0.00 0.103 C ATOM 4 C UNL d 1 4.826 -6.524 14.778 0.00 0.00 0.042 C ATOM 5 C UNL d 1 4.823 -7.870 14.291 0.00 0.00 0.057 C ATOM 6 C UNL d 1 4.702 -8.694 16.524 0.00 0.00 0.103 C ATOM 7 C UNL d 1 4.956 -6.286 16.145 0.00 0.00 0.075 C ATOM 8 C UNL d 1 4.856 -7.372 16.989 0.00 0.00 0.072 C ATOM 9 C UNL d 1 4.613 -5.362 14.014 0.00 0.00 0.142 C ATOM 10 C UNL d 1 5.016 -4.025 15.816 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 4.820 -10.279 14.686 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 5.950 -11.069 15.103 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 6.698 -10.551 16.347 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 7.994 -9.716 16.260 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 8.733 -9.359 17.492 0.00 0.00 0.092 N ATOM 16 C UNL d 1 9.152 -7.942 17.531 0.00 0.00 0.298 C ATOM 17 C UNL d 1 10.156 -7.573 16.428 0.00 0.00 0.198 C ATOM 18 O UNL d 1 11.341 -8.377 16.504 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 11.037 -9.779 16.493 0.00 0.00 0.198 C ATOM 20 C UNL d 1 10.007 -10.145 17.582 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 4.452 -9.563 17.552 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 3.230 -10.281 17.515 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 4.076 -5.493 12.720 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 3.533 -6.331 12.600 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 4.517 -4.854 11.551 0.00 0.00 0.035 A ATOM 26 C UNL d 1 5.824 -5.019 11.063 0.00 0.00 0.056 A ATOM 27 C UNL d 1 6.248 -4.355 9.911 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 7.853 -4.598 9.336 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 5.376 -3.503 9.249 0.00 0.00 0.138 A ATOM 30 F UNL d 1 5.755 -2.863 8.134 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 4.090 -3.293 9.737 0.00 0.00 0.046 A ATOM 32 C UNL d 1 3.666 -3.959 10.889 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8