MODEL 1 REMARK VINA RESULT: -6.990 0.000 0.000 REMARK INTER + INTRA: -9.631 REMARK INTER: -9.087 REMARK INTRA: -0.544 REMARK UNBOUND: -0.597 REMARK Flexibility Score: inf REMARK Active torsions [ 5 ] -> [ 5 ] ROOT ATOM 1 N1 LIG L 1 4.583 44.434 61.481 1.00 0.00 -0.227 N ATOM 2 O1 LIG L 1 4.628 42.715 60.068 1.00 0.00 -0.268 OA ATOM 3 N2 LIG L 1 4.295 41.205 61.379 1.00 0.00 -0.266 N ATOM 4 N3 LIG L 1 4.080 44.819 62.451 1.00 0.00 -0.161 NA ATOM 5 C1 LIG L 1 4.362 42.431 61.054 1.00 0.00 0.270 C ATOM 6 C2 LIG L 1 3.461 44.187 63.107 1.00 0.00 0.151 A ATOM 7 C3 LIG L 1 3.616 43.193 62.516 1.00 0.00 0.017 A ATOM 8 C4 LIG L 1 4.251 43.391 61.606 1.00 0.00 0.133 A ATOM 9 C5 LIG L 1 3.146 41.998 62.872 1.00 0.00 0.059 C ATOM 10 C6 LIG L 1 4.042 41.039 62.518 1.00 0.00 0.119 C ENDROOT BRANCH 1 11 ATOM 11 C7 LIG L 1 5.275 45.119 60.697 1.00 0.00 0.066 A ATOM 12 C8 LIG L 1 6.538 46.662 59.176 1.00 0.00 0.120 A ATOM 13 C9 LIG L 1 7.229 45.858 59.848 1.00 0.00 0.048 A ATOM 14 C10 LIG L 1 5.446 46.684 59.205 1.00 0.00 0.048 A ATOM 15 C11 LIG L 1 6.562 45.186 60.617 1.00 0.00 0.031 A ATOM 16 C12 LIG L 1 4.894 45.836 60.013 1.00 0.00 0.031 A BRANCH 12 17 ATOM 17 O2 LIG L 1 7.163 47.361 58.611 1.00 0.00 -0.495 OA ATOM 18 C13 LIG L 1 6.820 48.100 57.808 1.00 0.00 0.277 C ENDBRANCH 12 17 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C14 LIG L 1 2.731 44.447 64.227 1.00 0.00 0.262 C ATOM 20 O3 LIG L 1 2.937 44.093 65.199 1.00 0.00 -0.269 OA ATOM 21 N4 LIG L 1 1.898 45.026 64.043 1.00 0.00 -0.324 N ATOM 22 H1 LIG L 1 1.298 45.275 64.783 1.00 0.00 0.145 HD ATOM 23 H2 LIG L 1 1.702 45.330 63.128 1.00 0.00 0.145 HD ENDBRANCH 6 19 BRANCH 3 24 ATOM 24 C15 LIG L 1 4.533 39.988 60.742 1.00 0.00 0.037 A ATOM 25 C16 LIG L 1 5.860 39.527 60.706 1.00 0.00 0.025 A ATOM 26 C17 LIG L 1 3.549 39.333 59.885 1.00 0.00 0.025 A ATOM 27 C18 LIG L 1 6.171 38.426 59.737 1.00 0.00 0.025 A ATOM 28 C19 LIG L 1 3.898 38.296 58.929 1.00 0.00 0.025 A ATOM 29 C20 LIG L 1 5.201 37.909 58.884 1.00 0.00 0.036 A BRANCH 29 30 ATOM 30 N5 LIG L 1 5.534 37.083 58.058 1.00 0.00 -0.271 N ATOM 31 C21 LIG L 1 5.332 35.932 58.373 1.00 0.00 0.220 C ATOM 32 C22 LIG L 1 6.036 37.323 56.824 1.00 0.00 0.113 C ATOM 33 O4 LIG L 1 4.913 35.711 59.356 1.00 0.00 -0.275 OA ATOM 34 C23 LIG L 1 5.691 34.850 57.535 1.00 0.00 0.096 C ATOM 35 C24 LIG L 1 6.609 36.350 56.182 1.00 0.00 0.020 C ATOM 36 C25 LIG L 1 5.794 35.261 56.276 1.00 0.00 0.011 C ENDBRANCH 29 30 ENDBRANCH 3 24 TORSDOF 5 ENDMDL