REMARK VINA RESULT: -7.3 0.000 0.000 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 -1.872 -7.021 0.091 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -3.433 -4.461 -4.165 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -4.641 -3.171 2.089 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -5.653 -1.105 0.993 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -5.857 -2.250 1.991 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -5.577 -1.729 -0.402 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -4.047 -3.473 0.708 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -4.558 -2.861 -0.464 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -3.089 -4.503 0.564 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.162 -3.349 -1.721 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -2.728 -5.018 -0.701 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.259 -4.423 -1.842 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -1.911 -6.250 -0.858 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -2.898 -4.936 -3.169 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -1.318 -6.635 -2.169 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -1.869 -5.995 -3.298 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -0.335 -7.628 -2.387 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -1.490 -6.342 -4.608 0.00 0.00 0.017 A ATOM 19 C UNL d 1 0.025 -7.950 -3.716 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -0.545 -7.328 -4.818 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.627 -2.716 3.022 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.843 -3.103 4.401 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -2.647 -3.578 5.040 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.233 -4.907 4.700 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -3.358 -5.928 4.966 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -0.981 -5.230 5.517 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.603 -5.486 4.172 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -5.005 -4.080 4.618 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -3.689 -6.005 6.363 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -4.598 -6.352 6.435 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.742 -6.392 4.364 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -6.139 -6.628 3.453 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -5.383 -7.283 4.721 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 -6.866 -0.163 1.117 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -7.730 -0.089 0.232 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -6.985 0.721 2.351 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -5.936 1.687 2.363 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -6.196 2.366 3.017 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 -4.456 -0.367 1.245 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -4.381 -0.142 2.191 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -2.498 -4.999 1.697 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -2.988 -4.672 2.474 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -4.740 -2.761 -2.820 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -4.619 -1.785 -2.757 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 0.416 -8.407 -1.557 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 1.190 -7.913 -0.485 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11