MODEL 1 REMARK VINA RESULT: -12.349 0.000 0.000 REMARK INTER + INTRA: -16.364 REMARK INTER: -16.161 REMARK INTRA: -0.203 REMARK UNBOUND: -0.405 REMARK Flexibility Score: inf REMARK Active torsions [ 5 ] -> [ 5 ] ROOT ATOM 1 N1 LIG L 1 7.094 44.410 64.246 1.00 0.00 -0.227 N ATOM 2 O1 LIG L 1 7.705 43.768 62.231 1.00 0.00 -0.268 OA ATOM 3 N2 LIG L 1 6.482 42.147 61.949 1.00 0.00 -0.266 N ATOM 4 N3 LIG L 1 6.149 44.480 64.944 1.00 0.00 -0.161 NA ATOM 5 C1 LIG L 1 6.882 43.201 62.568 1.00 0.00 0.270 C ATOM 6 C2 LIG L 1 5.203 43.982 64.708 1.00 0.00 0.151 A ATOM 7 C3 LIG L 1 5.553 43.438 63.736 1.00 0.00 0.017 A ATOM 8 C4 LIG L 1 6.604 43.721 63.517 1.00 0.00 0.133 A ATOM 9 C5 LIG L 1 4.777 42.589 62.980 1.00 0.00 0.059 C ATOM 10 C6 LIG L 1 5.618 41.642 62.512 1.00 0.00 0.119 C ENDROOT BRANCH 1 11 ATOM 11 C7 LIG L 1 8.154 44.957 64.457 1.00 0.00 0.066 A ATOM 12 C8 LIG L 1 10.203 46.219 65.136 1.00 0.00 0.120 A ATOM 13 C9 LIG L 1 10.330 44.958 64.978 1.00 0.00 0.048 A ATOM 14 C10 LIG L 1 9.270 46.733 64.946 1.00 0.00 0.048 A ATOM 15 C11 LIG L 1 9.289 44.422 64.723 1.00 0.00 0.031 A ATOM 16 C12 LIG L 1 8.280 45.987 64.571 1.00 0.00 0.031 A BRANCH 12 17 ATOM 17 O2 LIG L 1 11.156 46.710 65.507 1.00 0.00 -0.495 OA ATOM 18 C13 LIG L 1 11.417 47.814 65.483 1.00 0.00 0.277 C ENDBRANCH 12 17 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C14 LIG L 1 3.980 44.000 65.305 1.00 0.00 0.262 C ATOM 20 O3 LIG L 1 3.059 44.414 64.893 1.00 0.00 -0.269 OA ATOM 21 N4 LIG L 1 3.973 43.612 66.245 1.00 0.00 -0.324 N ATOM 22 H1 LIG L 1 3.135 43.580 66.759 1.00 0.00 0.145 HD ATOM 23 H2 LIG L 1 4.807 43.267 66.640 1.00 0.00 0.145 HD ENDBRANCH 6 19 BRANCH 3 24 ATOM 24 C15 LIG L 1 6.920 41.418 60.849 1.00 0.00 0.037 A ATOM 25 C16 LIG L 1 6.994 40.030 60.989 1.00 0.00 0.025 A ATOM 26 C17 LIG L 1 7.552 42.033 59.690 1.00 0.00 0.025 A ATOM 27 C18 LIG L 1 7.778 39.268 59.944 1.00 0.00 0.025 A ATOM 28 C19 LIG L 1 8.327 41.280 58.712 1.00 0.00 0.025 A ATOM 29 C20 LIG L 1 8.423 39.932 58.890 1.00 0.00 0.036 A BRANCH 29 30 ATOM 30 N5 LIG L 1 9.114 39.283 58.142 1.00 0.00 -0.271 N ATOM 31 C21 LIG L 1 10.185 38.958 58.604 1.00 0.00 0.220 C ATOM 32 C22 LIG L 1 8.798 38.841 56.907 1.00 0.00 0.113 C ATOM 33 O4 LIG L 1 10.465 39.276 59.618 1.00 0.00 -0.275 OA ATOM 34 C23 LIG L 1 11.130 38.217 57.854 1.00 0.00 0.096 C ATOM 35 C24 LIG L 1 9.753 38.413 56.124 1.00 0.00 0.020 C ATOM 36 C25 LIG L 1 10.523 37.567 56.870 1.00 0.00 0.011 C ENDBRANCH 29 30 ENDBRANCH 3 24 TORSDOF 5 ENDMDL