REMARK VINA RESULT: 31.2 3.034 7.458 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 5.611 -5.806 15.788 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 2.315 -8.761 13.049 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 5.007 -3.058 11.480 0.00 0.00 0.164 C ATOM 4 C UNL d 1 3.857 -3.641 9.280 0.00 0.00 0.127 C ATOM 5 C UNL d 1 4.088 -2.574 10.357 0.00 0.00 0.083 C ATOM 6 C UNL d 1 3.051 -4.770 9.927 0.00 0.00 0.088 C ATOM 7 C UNL d 1 4.677 -4.495 11.901 0.00 0.00 0.014 A ATOM 8 C UNL d 1 3.691 -5.254 11.223 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 5.234 -5.025 13.087 0.00 0.00 0.090 A ATOM 10 C UNL d 1 3.242 -6.459 11.792 0.00 0.00 0.088 A ATOM 11 C UNL d 1 4.750 -6.215 13.676 0.00 0.00 0.066 A ATOM 12 C UNL d 1 3.761 -6.935 13.011 0.00 0.00 0.066 A ATOM 13 C UNL d 1 5.157 -6.656 15.036 0.00 0.00 0.200 C ATOM 14 C UNL d 1 3.243 -8.176 13.598 0.00 0.00 0.197 C ATOM 15 C UNL d 1 4.854 -8.026 15.538 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.862 -8.730 14.825 0.00 0.00 0.032 A ATOM 17 C UNL d 1 5.396 -8.635 16.693 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.391 -9.985 15.252 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.901 -9.898 17.092 0.00 0.00 0.038 A ATOM 20 C UNL d 1 3.906 -10.568 16.394 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 6.421 -2.892 11.199 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 7.217 -4.096 11.325 0.00 0.00 0.263 C ATOM 23 O UNL d 1 8.587 -3.824 11.662 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 9.418 -3.351 10.595 0.00 0.00 0.151 C ATOM 25 C UNL d 1 9.401 -4.323 9.399 0.00 0.00 0.179 C ATOM 26 C UNL d 1 10.833 -3.172 11.149 0.00 0.00 0.042 C ATOM 27 C UNL d 1 7.937 -4.510 8.955 0.00 0.00 0.253 C ATOM 28 C UNL d 1 7.126 -5.054 10.131 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 9.959 -5.603 9.743 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 10.672 -5.453 10.392 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 7.808 -5.430 7.819 0.00 0.00 0.085 N ATOM 32 H UNL d 1 6.845 -5.407 7.478 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 8.360 -5.056 7.041 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 3.067 -2.977 8.136 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.947 -2.480 8.317 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 3.673 -2.962 6.739 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 3.996 -4.290 6.332 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 4.011 -4.831 7.148 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 5.079 -4.170 8.765 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 5.440 -3.591 8.068 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 6.282 -4.355 13.665 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 6.301 -4.567 14.617 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 2.238 -7.118 11.125 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 1.805 -6.488 10.502 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 6.364 -8.273 17.582 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 7.681 -8.782 17.577 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11