REMARK VINA RESULT: -5.5 4.141 7.273 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 9.316 -9.743 -8.431 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 9.026 -7.829 -9.792 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 7.838 -7.740 -5.042 0.00 0.00 0.103 C ATOM 4 C UNL d 1 8.371 -7.758 -7.464 0.00 0.00 0.042 C ATOM 5 C UNL d 1 7.794 -7.140 -6.309 0.00 0.00 0.057 C ATOM 6 C UNL d 1 8.558 -8.938 -4.944 0.00 0.00 0.103 C ATOM 7 C UNL d 1 8.872 -9.055 -7.372 0.00 0.00 0.075 C ATOM 8 C UNL d 1 8.987 -9.602 -6.112 0.00 0.00 0.072 C ATOM 9 C UNL d 1 8.582 -7.152 -8.715 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.333 -9.108 -9.610 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 7.268 -7.149 -3.925 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 8.140 -7.022 -2.786 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 7.689 -6.007 -1.717 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 6.250 -5.959 -1.160 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 5.375 -7.150 -1.258 0.00 0.00 0.092 N ATOM 16 C UNL d 1 4.426 -7.085 -2.390 0.00 0.00 0.298 C ATOM 17 C UNL d 1 3.409 -5.940 -2.268 0.00 0.00 0.198 C ATOM 18 O UNL d 1 2.639 -6.045 -1.064 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 3.475 -6.134 0.099 0.00 0.00 0.198 C ATOM 20 C UNL d 1 4.515 -7.266 -0.035 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 8.939 -9.610 -3.814 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 8.782 -11.019 -3.810 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 8.494 -5.749 -8.810 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 9.313 -5.278 -8.465 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 7.328 -4.980 -8.932 0.00 0.00 0.035 A ATOM 26 C UNL d 1 7.265 -3.650 -8.484 0.00 0.00 0.056 A ATOM 27 C UNL d 1 6.085 -2.911 -8.596 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 6.055 -1.278 -8.051 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.953 -3.503 -9.136 0.00 0.00 0.138 A ATOM 30 F UNL d 1 3.812 -2.811 -9.265 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 4.981 -4.831 -9.548 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.160 -5.570 -9.438 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8