REMARK Name = BDB024674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.641 -0.280 -0.443 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.488 0.387 0.012 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.700 1.808 0.345 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.891 2.647 -0.930 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.607 2.391 1.237 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.251 2.182 0.599 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.049 0.722 0.315 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.737 0.193 0.304 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.451 0.850 0.476 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.406 -0.050 0.379 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.859 -1.308 0.179 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.517 -1.160 0.114 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.573 -2.051 -0.067 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.871 -1.517 -0.079 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.143 -0.146 0.059 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.778 0.167 -0.293 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.551 -2.589 0.046 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.266 -2.740 -1.303 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -2.836 -4.150 -1.477 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -3.576 -4.670 -0.239 0.00 0.00 +0.115 C ATOM 21 C LIG 1 -3.752 -3.621 0.858 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -2.433 -2.955 1.256 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -2.885 -5.799 0.294 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -1.964 -5.553 0.480 0.00 0.00 +0.210 HD ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.585 -2.060 -1.652 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.412 -1.429 -1.138 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.871 0.264 0.501 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.345 1.517 -0.267 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.092 2.819 0.489 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -1.898 3.543 0.369 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -1.696 4.719 1.094 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.684 5.190 1.954 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.875 4.482 2.092 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.077 3.305 1.369 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.922 1.470 -1.725 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -2.702 0.454 -2.372 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.925 2.659 -2.358 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -2.651 2.447 -3.274 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8