REMARK VINA RESULT: -2.4 2.547 8.153 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 -9.457 -4.634 4.573 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -7.055 -4.015 9.150 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.117 -2.228 3.210 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -3.297 -1.146 4.629 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -3.615 -2.027 3.416 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -3.718 -1.925 5.877 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -5.840 -2.484 4.538 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -5.152 -2.431 5.775 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -7.176 -2.947 4.532 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -5.784 -2.915 6.933 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -7.791 -3.472 5.691 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -7.091 -3.438 6.894 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -9.099 -4.179 5.650 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -7.708 -3.973 8.113 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -9.859 -4.492 6.892 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -9.119 -4.425 8.091 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -11.202 -4.926 6.968 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -9.673 -4.807 9.327 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -11.728 -5.299 8.226 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -10.979 -5.252 9.394 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -5.755 -1.173 2.445 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -6.578 -1.627 1.342 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -6.279 -2.974 0.943 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -5.089 -3.155 0.167 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.105 -2.271 -1.097 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -4.983 -4.638 -0.190 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -5.294 -0.807 -0.655 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -6.601 -0.688 0.130 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.170 -2.638 -1.991 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.996 -2.672 -1.472 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.332 0.122 -1.790 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -4.403 0.177 -2.209 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -5.915 -0.295 -2.523 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 -1.778 -0.883 4.623 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -1.306 0.231 4.886 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -0.839 -2.022 4.252 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -0.002 -2.346 5.361 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -0.552 -2.875 5.973 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 -3.992 0.101 4.596 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -3.784 0.634 5.386 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -7.883 -2.869 3.359 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -7.261 -2.949 2.614 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -5.045 -2.901 8.091 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -4.777 -1.972 8.284 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -12.196 -5.077 6.046 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -12.220 -6.085 5.059 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11