REMARK Name = BDB059453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.014 0.380 -1.226 0.00 0.00 +0.162 A ATOM 2 C LIG 1 3.656 -0.877 -1.744 0.00 0.00 +0.162 A ATOM 3 C LIG 1 2.314 -1.279 -1.751 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.315 -0.438 -1.262 0.00 0.00 -0.057 A ATOM 5 C LIG 1 -0.135 -0.815 -1.287 0.00 0.00 -0.038 C ATOM 6 N LIG 1 -0.871 -0.481 0.021 0.00 0.00 +0.390 N ATOM 7 C LIG 1 -0.504 0.982 0.543 0.00 0.00 -0.029 C ATOM 8 C LIG 1 0.540 1.728 -0.333 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -1.670 1.886 0.927 0.00 0.00 -0.053 A ATOM 10 C LIG 1 -2.731 2.190 0.030 0.00 0.00 -0.042 A ATOM 11 C LIG 1 -3.770 3.051 0.427 0.00 0.00 +0.053 A ATOM 12 C LIG 1 -3.731 3.588 1.694 0.00 0.00 +0.167 A ATOM 13 O LIG 1 -4.651 4.429 2.231 0.00 0.00 -0.453 OA ATOM 14 C LIG 1 -4.085 4.657 3.540 0.00 0.00 +0.466 C ATOM 15 O LIG 1 -2.857 3.927 3.760 0.00 0.00 -0.453 OA ATOM 16 C LIG 1 -2.712 3.302 2.562 0.00 0.00 +0.166 A ATOM 17 C LIG 1 -2.788 1.566 -1.336 0.00 0.00 +0.033 C ATOM 18 C LIG 1 -3.069 0.075 -1.264 0.00 0.00 -0.013 C ATOM 19 C LIG 1 -1.674 2.464 2.214 0.00 0.00 +0.052 A ATOM 20 C LIG 1 -2.375 -0.718 -0.154 0.00 0.00 -0.073 C ATOM 21 C LIG 1 1.660 0.827 -0.778 0.00 0.00 -0.043 A ATOM 22 C LIG 1 3.001 1.234 -0.767 0.00 0.00 +0.053 A ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 5.735 1.942 -0.632 0.00 0.00 +0.277 C ATOM 24 O LIG 1 5.345 0.690 -1.184 0.00 0.00 -0.491 OA ENDBRANCH 1 24 BRANCH 2 25 ATOM 25 O LIG 1 4.500 -1.841 -2.232 0.00 0.00 -0.491 OA ATOM 26 C LIG 1 5.655 -1.381 -2.929 0.00 0.00 +0.277 C ENDBRANCH 2 25 BRANCH 6 27 ATOM 27 C LIG 1 -0.365 -1.456 1.159 0.00 0.00 -0.038 C BRANCH 27 28 ATOM 28 C LIG 1 -0.570 -2.942 0.984 0.00 0.00 -0.063 A ATOM 29 C LIG 1 -1.755 -3.561 1.415 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -1.941 -4.934 1.252 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -0.943 -5.710 0.669 0.00 0.00 +0.000 A ATOM 32 C LIG 1 0.249 -5.116 0.263 0.00 0.00 +0.000 A ATOM 33 C LIG 1 0.439 -3.743 0.426 0.00 0.00 +0.002 A ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 4