REMARK Name = BDB024540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.872 -0.150 -1.127 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.969 -0.629 -0.162 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.367 -1.738 0.742 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.433 -1.278 1.754 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.218 -2.366 1.546 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.969 -2.473 0.702 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.591 -1.083 0.283 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.247 -0.654 0.265 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.119 -1.344 0.622 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.898 -0.528 0.425 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.456 0.696 -0.044 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.922 0.627 -0.160 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.899 1.533 -0.579 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.231 1.097 -0.566 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.597 -0.191 -0.151 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.654 0.728 -1.956 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.250 1.882 -0.356 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.908 2.505 0.884 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.572 3.855 0.552 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.209 3.896 -0.847 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.502 2.504 -1.396 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.226 1.673 -1.529 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.613 4.216 1.602 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.238 3.409 2.272 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.811 5.549 1.714 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.267 6.095 1.117 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.015 -0.386 -2.073 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.069 -0.813 -1.092 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.322 -0.913 0.685 0.00 0.00 +0.079 C BRANCH 29 30 ATOM 30 C LIG 1 -2.700 -2.175 -0.098 0.00 0.00 +0.043 C BRANCH 30 31 ATOM 31 C LIG 1 -4.161 -2.514 0.071 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.592 -3.256 1.179 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.946 -3.548 1.349 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.880 -3.099 0.418 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.462 -2.356 -0.685 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.108 -2.062 -0.858 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7