REMARK Name = BDB052267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.301 -0.617 -0.659 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -3.327 -0.010 -2.040 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -2.398 1.003 -2.437 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.565 1.613 -3.677 0.00 0.00 +0.067 A ATOM 5 N LIG 1 -1.593 2.569 -3.759 0.00 0.00 -0.276 N ATOM 6 H LIG 1 -1.428 3.216 -4.521 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 -0.777 2.618 -2.703 0.00 0.00 -0.173 NA ATOM 8 C LIG 1 -3.554 1.258 -4.589 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -4.401 0.209 -4.233 0.00 0.00 +0.025 A ATOM 10 C LIG 1 -1.226 1.646 -1.894 0.00 0.00 +0.093 A ATOM 11 C LIG 1 -4.302 -0.434 -2.995 0.00 0.00 +0.037 A ENDROOT BRANCH 11 12 ATOM 12 N LIG 1 -5.138 -1.533 -2.672 0.00 0.00 -0.285 N ATOM 13 H LIG 1 -4.943 -2.006 -1.799 0.00 0.00 +0.155 HD ATOM 14 C LIG 1 -6.232 -2.022 -3.371 0.00 0.00 +0.222 C ATOM 15 O LIG 1 -6.717 -1.552 -4.396 0.00 0.00 -0.275 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.813 -3.289 -2.756 0.00 0.00 +0.138 C BRANCH 16 17 ATOM 17 C LIG 1 -7.333 -3.015 -1.376 0.00 0.00 -0.001 A ATOM 18 S LIG 1 -6.490 -3.601 -0.004 0.00 0.00 -0.101 S ATOM 19 C LIG 1 -7.629 -2.913 1.069 0.00 0.00 +0.045 A ATOM 20 C LIG 1 -8.634 -2.251 0.400 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -8.466 -2.313 -1.013 0.00 0.00 +0.011 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 12 BRANCH 10 22 ATOM 22 C LIG 1 -0.554 1.305 -0.671 0.00 0.00 +0.031 C ATOM 23 C LIG 1 0.351 2.082 -0.051 0.00 0.00 +0.010 C BRANCH 23 24 ATOM 24 C LIG 1 1.041 1.696 1.185 0.00 0.00 -0.025 A ATOM 25 C LIG 1 2.420 1.919 1.293 0.00 0.00 +0.012 A ATOM 26 C LIG 1 3.120 1.584 2.464 0.00 0.00 -0.033 A ATOM 27 C LIG 1 2.413 1.036 3.543 0.00 0.00 +0.005 A ATOM 28 C LIG 1 1.037 0.826 3.450 0.00 0.00 +0.001 A ATOM 29 C LIG 1 0.354 1.158 2.279 0.00 0.00 +0.008 A BRANCH 26 30 ATOM 30 C LIG 1 4.611 1.832 2.565 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.388 1.159 1.509 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 5.375 -0.313 1.647 0.00 0.00 +0.100 C ATOM 33 C LIG 1 6.238 -0.866 2.808 0.00 0.00 +0.099 C ATOM 34 N LIG 1 7.633 -0.384 2.834 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 8.443 -1.048 1.812 0.00 0.00 +0.105 C ATOM 36 C LIG 1 7.659 1.083 2.667 0.00 0.00 +0.099 C ATOM 37 C LIG 1 6.790 1.627 1.507 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 10 22 TORSDOF 7