REMARK VINA RESULT: -4.5 3.431 7.224 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 -5.134 -4.070 1.892 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -6.881 -1.981 2.978 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -6.548 -1.976 1.594 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -7.731 -0.956 3.546 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -5.541 -4.087 3.239 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -5.613 -2.971 1.128 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -6.344 -3.040 3.746 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -7.144 -0.977 0.765 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -8.236 0.032 2.685 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -7.965 0.013 1.319 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -5.138 -5.112 4.276 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.252 -5.136 1.297 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -4.717 -6.075 0.359 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -3.832 -7.035 -0.181 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -6.114 -6.142 -0.210 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -2.487 -7.209 0.208 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.003 -6.317 1.208 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.635 -8.228 -0.363 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.880 -5.259 1.647 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -0.672 -6.521 1.690 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.146 -7.499 1.134 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -0.318 -8.325 0.112 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -2.293 -4.274 2.419 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -1.924 -3.577 1.852 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -0.160 -5.788 2.878 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -0.484 -6.038 4.033 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 1.416 -7.732 1.599 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 1.982 -7.075 1.148 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 0.617 -9.232 -0.322 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 1.512 -8.911 -0.148 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -2.162 -9.201 -1.430 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -3.651 -9.019 -1.750 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -1.267 -9.234 -2.673 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -5.126 -2.782 -0.153 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -5.066 -1.834 -0.357 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -7.036 -1.025 -0.711 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -7.388 -1.973 -1.402 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -8.105 -0.964 5.035 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -8.052 0.419 5.692 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -9.414 -1.716 5.296 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -8.581 0.960 0.542 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -9.482 1.045 0.911 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -9.063 1.065 3.059 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -9.355 1.569 2.288 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11