REMARK VINA RESULT: -5.9 3.618 6.836 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 13.620 -12.066 8.696 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 12.586 -14.192 8.604 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 10.011 -10.107 7.791 0.00 0.00 0.103 C ATOM 4 C UNL d 1 11.263 -12.196 8.254 0.00 0.00 0.042 C ATOM 5 C UNL d 1 10.039 -11.487 8.034 0.00 0.00 0.057 C ATOM 6 C UNL d 1 11.253 -9.467 7.684 0.00 0.00 0.103 C ATOM 7 C UNL d 1 12.457 -11.488 8.372 0.00 0.00 0.075 C ATOM 8 C UNL d 1 12.433 -10.147 8.050 0.00 0.00 0.072 C ATOM 9 C UNL d 1 11.423 -13.593 8.279 0.00 0.00 0.142 C ATOM 10 C UNL d 1 13.623 -13.396 8.841 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 8.826 -9.416 7.591 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 7.995 -9.275 8.759 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 6.761 -10.198 8.809 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 6.656 -11.408 9.762 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 5.650 -12.465 9.514 0.00 0.00 0.092 N ATOM 16 C UNL d 1 5.941 -13.727 10.227 0.00 0.00 0.298 C ATOM 17 C UNL d 1 7.244 -14.400 9.767 0.00 0.00 0.198 C ATOM 18 O UNL d 1 7.220 -14.691 8.364 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 6.923 -13.526 7.582 0.00 0.00 0.198 C ATOM 20 C UNL d 1 5.630 -12.834 8.061 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 11.520 -8.197 7.246 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 11.659 -8.007 5.848 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 10.385 -14.401 7.776 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 9.946 -14.966 8.483 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 10.184 -14.788 6.443 0.00 0.00 0.035 A ATOM 26 C UNL d 1 10.021 -16.135 6.078 0.00 0.00 0.056 A ATOM 27 C UNL d 1 9.845 -16.499 4.741 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 9.631 -18.159 4.337 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 9.852 -15.522 3.757 0.00 0.00 0.138 A ATOM 30 F UNL d 1 9.673 -15.844 2.468 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 10.052 -14.186 4.092 0.00 0.00 0.046 A ATOM 32 C UNL d 1 10.227 -13.822 5.428 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8