REMARK VINA RESULT: -3.8 2.574 5.641 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 7.529 -16.057 4.831 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 9.995 -18.821 8.489 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 10.615 -12.534 6.964 0.00 0.00 0.164 C ATOM 4 C UNL d 1 12.074 -12.644 9.051 0.00 0.00 0.127 C ATOM 5 C UNL d 1 11.967 -12.190 7.591 0.00 0.00 0.083 C ATOM 6 C UNL d 1 12.071 -14.175 9.051 0.00 0.00 0.088 C ATOM 7 C UNL d 1 10.155 -13.946 7.350 0.00 0.00 0.014 A ATOM 8 C UNL d 1 10.898 -14.740 8.258 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 9.069 -14.542 6.669 0.00 0.00 0.090 A ATOM 10 C UNL d 1 10.587 -16.105 8.389 0.00 0.00 0.088 A ATOM 11 C UNL d 1 8.788 -15.923 6.772 0.00 0.00 0.066 A ATOM 12 C UNL d 1 9.545 -16.696 7.649 0.00 0.00 0.066 A ATOM 13 C UNL d 1 7.809 -16.606 5.887 0.00 0.00 0.200 C ATOM 14 C UNL d 1 9.271 -18.132 7.778 0.00 0.00 0.197 C ATOM 15 C UNL d 1 7.327 -17.987 6.171 0.00 0.00 0.062 A ATOM 16 C UNL d 1 8.110 -18.730 7.079 0.00 0.00 0.032 A ATOM 17 C UNL d 1 6.232 -18.638 5.557 0.00 0.00 0.083 A ATOM 18 C UNL d 1 7.844 -20.084 7.354 0.00 0.00 0.017 A ATOM 19 C UNL d 1 5.991 -19.998 5.858 0.00 0.00 0.038 A ATOM 20 C UNL d 1 6.785 -20.723 6.736 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 9.580 -11.547 7.209 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 9.135 -11.454 8.585 0.00 0.00 0.263 C ATOM 23 O UNL d 1 8.061 -12.360 8.884 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 6.764 -11.983 8.408 0.00 0.00 0.151 C ATOM 25 C UNL d 1 6.366 -10.583 8.915 0.00 0.00 0.179 C ATOM 26 C UNL d 1 5.768 -13.048 8.870 0.00 0.00 0.042 C ATOM 27 C UNL d 1 7.458 -9.587 8.477 0.00 0.00 0.253 C ATOM 28 C UNL d 1 8.801 -10.033 9.056 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 6.242 -10.549 10.348 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 5.375 -10.155 10.562 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 7.179 -8.216 8.921 0.00 0.00 0.085 N ATOM 32 H UNL d 1 6.438 -8.236 9.623 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 7.999 -7.872 9.429 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 13.399 -12.090 9.610 0.00 0.00 0.184 C ATOM 35 O UNL d 1 13.434 -11.088 10.337 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 14.701 -12.781 9.229 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 15.354 -12.056 8.189 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 15.345 -12.636 7.402 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 10.990 -12.172 9.852 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 11.164 -12.332 10.798 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 8.270 -13.738 5.897 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 8.819 -13.324 5.206 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 11.383 -16.841 9.233 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 11.116 -16.653 10.163 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 5.268 -18.234 4.680 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 3.985 -17.784 5.059 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11