REMARK VINA RESULT: -3.5 2.887 8.057 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 11.283 -12.507 6.282 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 7.901 -9.833 9.199 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 7.569 -15.974 7.100 0.00 0.00 0.164 C ATOM 4 C UNL d 1 5.539 -15.908 8.640 0.00 0.00 0.127 C ATOM 5 C UNL d 1 6.078 -16.279 7.254 0.00 0.00 0.083 C ATOM 6 C UNL d 1 5.595 -14.383 8.753 0.00 0.00 0.088 C ATOM 7 C UNL d 1 7.934 -14.616 7.711 0.00 0.00 0.014 A ATOM 8 C UNL d 1 6.974 -13.837 8.403 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 9.198 -14.041 7.442 0.00 0.00 0.090 A ATOM 10 C UNL d 1 7.276 -12.502 8.722 0.00 0.00 0.088 A ATOM 11 C UNL d 1 9.480 -12.686 7.728 0.00 0.00 0.066 A ATOM 12 C UNL d 1 8.516 -11.926 8.384 0.00 0.00 0.066 A ATOM 13 C UNL d 1 10.708 -12.007 7.239 0.00 0.00 0.200 C ATOM 14 C UNL d 1 8.784 -10.518 8.696 0.00 0.00 0.197 C ATOM 15 C UNL d 1 11.125 -10.674 7.757 0.00 0.00 0.062 A ATOM 16 C UNL d 1 10.125 -9.944 8.434 0.00 0.00 0.032 A ATOM 17 C UNL d 1 12.378 -10.050 7.560 0.00 0.00 0.083 A ATOM 18 C UNL d 1 10.339 -8.626 8.876 0.00 0.00 0.017 A ATOM 19 C UNL d 1 12.560 -8.725 8.019 0.00 0.00 0.038 A ATOM 20 C UNL d 1 11.558 -8.011 8.661 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 8.442 -17.030 7.577 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 9.028 -17.857 6.541 0.00 0.00 0.263 C ATOM 23 O UNL d 1 9.440 -17.101 5.392 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 8.396 -16.679 4.506 0.00 0.00 0.151 C ATOM 25 C UNL d 1 7.558 -17.877 4.017 0.00 0.00 0.179 C ATOM 26 C UNL d 1 9.046 -15.939 3.336 0.00 0.00 0.042 C ATOM 27 C UNL d 1 7.007 -18.612 5.255 0.00 0.00 0.253 C ATOM 28 C UNL d 1 8.178 -19.065 6.128 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 8.342 -18.793 3.232 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 8.919 -18.266 2.649 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 6.197 -19.783 4.899 0.00 0.00 0.085 N ATOM 32 H UNL d 1 5.899 -19.700 3.926 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 6.806 -20.607 4.907 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 4.088 -16.420 8.722 0.00 0.00 0.184 C ATOM 35 O UNL d 1 3.444 -16.394 9.780 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 3.444 -17.002 7.471 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 3.417 -18.426 7.553 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 3.941 -18.665 8.343 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 6.305 -16.486 9.697 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 7.141 -16.855 9.357 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 10.169 -14.840 6.896 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 10.462 -15.481 7.570 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 6.283 -11.775 9.333 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 5.899 -12.314 10.063 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 13.552 -10.453 6.994 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 14.512 -11.261 7.641 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11