REMARK VINA RESULT: -3.3 2.057 4.966 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 1.680 15.130 -15.233 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 2.000 15.041 -20.429 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.259 15.478 -16.635 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -4.318 15.828 -18.927 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -4.376 15.068 -17.597 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -3.051 15.373 -19.654 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.916 15.629 -17.360 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.816 15.484 -18.766 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.722 15.745 -16.611 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.545 15.378 -19.356 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.552 15.594 -17.204 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.631 15.426 -18.584 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.797 15.475 -16.401 0.00 0.00 0.200 C ATOM 14 C UNL d 1 1.942 15.271 -19.226 0.00 0.00 0.197 C ATOM 15 C UNL d 1 3.145 15.582 -17.026 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.180 15.427 -18.427 0.00 0.00 0.032 A ATOM 17 C UNL d 1 4.376 15.734 -16.347 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.393 15.388 -19.140 0.00 0.00 0.017 A ATOM 19 C UNL d 1 5.575 15.693 -17.094 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.595 15.514 -18.470 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.569 16.645 -15.831 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.978 16.361 -14.470 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.073 15.475 -13.791 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -3.165 14.089 -14.139 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -4.598 13.555 -13.942 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -2.160 13.322 -13.277 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -5.553 14.429 -14.778 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -5.427 15.883 -14.321 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -4.999 13.602 -12.561 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -5.467 14.446 -12.415 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -6.953 14.009 -14.653 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -7.103 13.617 -13.722 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -7.541 14.848 -14.670 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 -5.582 15.454 -19.726 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -5.775 14.305 -20.147 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -6.606 16.540 -20.028 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.065 17.131 -18.814 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -6.305 17.622 -18.443 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 -4.276 17.244 -18.747 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -3.383 17.531 -18.478 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.823 16.020 -15.271 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.503 16.928 -15.114 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -0.511 15.172 -20.714 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -0.076 15.947 -21.141 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 4.712 15.934 -15.040 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 4.668 14.934 -14.045 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11