REMARK Name = BDB024685 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.028 -0.057 -1.717 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.979 -0.881 -1.277 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.951 -2.258 -1.814 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.084 -3.111 -1.219 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.631 -3.014 -1.595 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.448 -2.083 -1.738 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.599 -1.005 -0.703 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.504 -0.544 0.059 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.777 -1.009 0.044 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.436 -0.316 0.943 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.629 0.690 1.484 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.650 0.478 0.997 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.916 1.018 1.247 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.003 0.555 0.489 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.865 -0.422 -0.499 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.970 -0.462 -2.395 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.133 1.705 2.415 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.176 2.651 1.764 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -1.616 3.935 1.144 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -0.719 4.675 2.135 0.00 0.00 +0.018 C ATOM 21 C LIG 1 0.394 3.787 2.673 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.141 2.495 3.292 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.922 3.675 -0.131 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -0.381 3.494 -1.140 0.00 0.00 -0.196 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 5.926 2.112 -1.881 0.00 0.00 +0.282 C ATOM 26 O LIG 1 4.893 1.260 -1.386 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.868 -0.611 1.307 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.804 -0.520 0.084 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.866 -1.788 -0.755 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.377 -1.777 -2.071 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.421 -2.928 -2.860 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.954 -4.107 -2.345 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.437 -4.137 -1.039 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.392 -2.987 -0.248 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.185 -0.064 0.514 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.862 0.791 -0.035 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.668 -0.694 1.605 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.581 -0.344 1.689 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8