REMARK VINA RESULT: -6.5 2.644 7.430 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 -3.990 -5.711 0.794 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -3.179 -5.053 5.895 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -7.387 -2.029 1.972 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -8.115 -1.096 4.230 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -7.727 -0.776 2.782 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -6.862 -1.629 4.927 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -6.531 -3.010 2.783 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -6.214 -2.764 4.142 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -5.901 -4.096 2.132 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -5.230 -3.547 4.769 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -4.882 -4.852 2.754 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -4.563 -4.580 4.082 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -4.048 -5.832 2.010 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -3.512 -5.353 4.753 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -3.168 -6.805 2.715 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -2.886 -6.505 4.064 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -2.531 -7.930 2.141 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -1.978 -7.269 4.820 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -1.627 -8.677 2.930 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -1.340 -8.354 4.250 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -8.539 -2.682 1.380 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -8.616 -2.601 -0.064 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -7.359 -2.875 -0.704 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -6.388 -1.823 -0.667 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -6.953 -0.517 -1.260 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -5.154 -2.298 -1.437 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -8.233 -0.154 -0.482 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -9.233 -1.304 -0.602 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -7.271 -0.658 -2.655 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.630 -1.282 -3.045 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -8.860 1.078 -0.976 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -9.788 0.857 -1.342 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -9.044 1.686 -0.172 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 -8.597 0.217 4.878 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -9.726 0.324 5.377 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -7.665 1.421 4.875 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.744 2.102 6.126 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -8.689 2.309 6.267 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 -9.153 -2.073 4.315 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -8.855 -2.927 3.950 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -6.309 -4.415 0.862 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -6.166 -3.642 0.285 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -4.916 -3.220 6.066 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -5.693 -3.420 6.639 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -2.590 -8.521 0.913 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -1.707 -8.235 -0.151 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11