REMARK Name = BDB024681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.768 0.302 0.159 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.704 -0.598 -0.029 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.966 -1.949 -0.585 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.726 -2.830 0.423 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.714 -2.729 -1.016 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.708 -1.810 -1.668 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.330 -0.769 -0.655 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.997 -0.329 -0.507 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.120 -0.738 -1.185 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.122 -0.022 -0.718 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.695 0.815 0.301 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.676 0.657 0.418 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.655 1.256 1.214 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.979 0.821 1.055 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.338 -0.174 0.136 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.681 1.455 0.569 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.530 1.712 1.098 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.260 3.190 0.789 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -2.200 4.095 1.584 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -2.131 3.809 3.083 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.409 2.341 3.389 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -1.471 1.420 2.609 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 O LIG 1 -1.871 5.458 1.341 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -0.963 5.617 1.653 0.00 0.00 +0.210 HD ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.083 0.654 -0.075 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.971 -0.230 -0.217 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.516 -0.130 -1.263 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.133 -1.511 -0.984 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.416 -1.709 -1.780 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.566 -0.946 -1.522 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.728 -1.137 -2.273 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.753 -2.089 -3.290 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.618 -2.850 -3.558 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.456 -2.662 -2.809 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -3.375 -1.694 0.502 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -3.668 -0.822 1.307 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -3.275 -2.979 0.900 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -3.480 -2.962 1.857 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8