REMARK VINA RESULT: -4.3 4.156 5.874 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 -1.575 -17.339 3.163 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.809 -18.594 5.017 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.800 -15.778 5.363 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -2.752 -17.170 5.250 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.810 -16.551 5.987 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.754 -15.717 3.964 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.606 -16.895 3.892 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -3.627 -16.205 3.272 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -1.853 -18.137 5.736 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -0.693 -18.139 3.774 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -5.818 -15.165 6.077 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -5.402 -14.085 6.934 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -4.989 -12.787 6.211 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -3.600 -12.136 6.385 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -2.709 -11.961 5.216 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -2.106 -13.227 4.748 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -1.169 -13.874 5.780 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.099 -12.994 6.145 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -0.584 -11.722 6.597 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -1.546 -11.084 5.574 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 -5.699 -15.227 3.103 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -6.738 -16.106 2.707 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -2.150 -18.785 6.950 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -1.443 -18.652 7.653 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -3.041 -19.850 7.145 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.249 -19.690 7.846 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -5.110 -20.770 8.048 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -6.589 -20.527 8.895 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -4.760 -22.025 7.571 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.575 -23.076 7.741 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -3.550 -22.216 6.911 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -2.690 -21.135 6.707 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8