REMARK Name = BDB062893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.033 -1.908 2.171 0.00 0.00 +0.213 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 0.439 0.731 0.906 0.00 0.00 -0.032 A ATOM 3 C LIG 1 -0.240 -0.483 1.105 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -1.294 -0.587 2.029 0.00 0.00 -0.016 A ATOM 5 C LIG 1 -1.683 0.562 2.736 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -1.018 1.773 2.542 0.00 0.00 +0.001 A ATOM 7 C LIG 1 0.035 1.858 1.632 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 1.550 0.831 -0.113 0.00 0.00 +0.141 C BRANCH 8 9 ATOM 9 N LIG 1 2.521 -0.251 0.043 0.00 0.00 -0.186 NA ATOM 10 H LIG 1 2.884 -0.422 0.981 0.00 0.00 +0.148 HD BRANCH 9 11 ATOM 11 S LIG 1 3.634 -0.511 -1.181 0.00 0.00 +0.059 S ATOM 12 O LIG 1 2.898 -0.678 -2.416 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 4.559 -1.512 -0.697 0.00 0.00 -0.153 OA BRANCH 11 16 ATOM 14 C LIG 1 6.060 2.591 -0.173 0.00 0.00 +0.031 A ATOM 15 C LIG 1 5.355 1.377 -0.188 0.00 0.00 +0.051 A ATOM 16 C LIG 1 4.505 1.033 -1.252 0.00 0.00 +0.107 A ATOM 17 C LIG 1 4.341 1.878 -2.345 0.00 0.00 +0.028 A ATOM 18 C LIG 1 5.017 3.088 -2.354 0.00 0.00 +0.004 A ATOM 19 C LIG 1 5.854 3.437 -1.280 0.00 0.00 +0.023 A BRANCH 14 21 ATOM 20 C LIG 1 7.495 1.873 1.682 0.00 0.00 +0.129 C ATOM 21 N LIG 1 6.876 2.950 0.907 0.00 0.00 -0.336 N ATOM 22 C LIG 1 7.648 4.189 0.841 0.00 0.00 +0.129 C ENDBRANCH 14 21 ENDBRANCH 11 16 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 N LIG 1 -3.219 -1.874 1.322 0.00 0.00 -0.295 N ATOM 24 H LIG 1 -3.774 -1.028 1.332 0.00 0.00 +0.150 HD ATOM 25 C LIG 1 -3.779 -3.031 0.843 0.00 0.00 +0.246 C ATOM 26 O LIG 1 -3.318 -4.149 1.024 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -5.061 -2.850 0.134 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -5.204 -2.051 -0.994 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.268 -1.321 -1.839 0.00 0.00 -0.006 A ATOM 30 C LIG 1 -4.985 -0.637 -2.838 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -6.416 -0.953 -2.662 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -7.339 -0.547 -3.336 0.00 0.00 -0.287 OA ATOM 33 C LIG 1 -4.394 0.148 -3.810 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -3.004 0.242 -3.789 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -2.256 -0.452 -2.821 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -2.884 -1.241 -1.845 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -6.503 -1.867 -1.506 0.00 0.00 +0.031 A ATOM 38 C LIG 1 -7.638 -2.465 -0.982 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -7.469 -3.300 0.122 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.191 -3.490 0.678 0.00 0.00 +0.014 A ENDBRANCH 25 27 ENDBRANCH 1 23 BRANCH 1 41 ATOM 41 C LIG 1 -2.438 -2.218 3.621 0.00 0.00 +0.330 C ATOM 42 O LIG 1 -3.515 -1.970 4.148 0.00 0.00 -0.249 OA BRANCH 41 43 ATOM 43 OXT LIG 1 -1.441 -2.774 4.348 0.00 0.00 -0.479 OA ATOM 44 HXT LIG 1 -1.840 -2.924 5.230 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 1 41 TORSDOF 10