REMARK Name = BDB050289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.428 -1.250 0.934 0.00 0.00 +0.130 A ATOM 2 C LIG 1 1.310 -1.964 0.470 0.00 0.00 +0.042 A ATOM 3 C LIG 1 1.458 -3.286 -0.041 0.00 0.00 -0.006 A ATOM 4 C LIG 1 2.762 -3.850 -0.053 0.00 0.00 -0.017 A ATOM 5 C LIG 1 2.967 -5.150 -0.544 0.00 0.00 +0.008 A ATOM 6 C LIG 1 1.904 -5.915 -1.021 0.00 0.00 +0.001 A ATOM 7 C LIG 1 0.621 -5.390 -1.006 0.00 0.00 +0.001 A ATOM 8 C LIG 1 3.855 -3.119 0.440 0.00 0.00 +0.012 A ATOM 9 C LIG 1 0.401 -4.099 -0.520 0.00 0.00 +0.009 A ATOM 10 C LIG 1 3.690 -1.832 0.941 0.00 0.00 +0.047 A ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 0.006 -1.270 0.565 0.00 0.00 +0.123 C ATOM 12 N LIG 1 -0.918 -1.374 -0.338 0.00 0.00 -0.255 NA BRANCH 12 13 ATOM 13 C LIG 1 -2.079 -0.623 -0.116 0.00 0.00 +0.064 A ATOM 14 C LIG 1 -2.287 0.561 -0.815 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -3.449 1.319 -0.608 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -4.452 0.906 0.281 0.00 0.00 +0.030 A ATOM 17 C LIG 1 -4.214 -0.292 0.978 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -3.055 -1.053 0.778 0.00 0.00 +0.029 A BRANCH 16 19 ATOM 19 N LIG 1 -5.616 1.637 0.524 0.00 0.00 -0.326 N ATOM 20 C LIG 1 -5.771 3.014 0.010 0.00 0.00 +0.133 C ATOM 21 C LIG 1 -6.401 3.014 -1.394 0.00 0.00 +0.178 C ATOM 22 O LIG 1 -7.655 2.310 -1.409 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -7.473 0.952 -0.972 0.00 0.00 +0.178 C ATOM 24 C LIG 1 -6.900 0.895 0.456 0.00 0.00 +0.133 C ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 2 11 BRANCH 1 25 ATOM 25 O LIG 1 2.322 0.026 1.430 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 2.345 1.002 0.376 0.00 0.00 +0.264 C BRANCH 26 30 ATOM 27 C LIG 1 6.284 2.729 0.033 0.00 0.00 +0.059 A ATOM 28 C LIG 1 5.747 2.004 -1.037 0.00 0.00 +0.015 A ATOM 29 C LIG 1 4.473 1.442 -0.924 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.724 1.608 0.251 0.00 0.00 -0.010 A ATOM 31 C LIG 1 4.268 2.347 1.311 0.00 0.00 +0.008 A ATOM 32 C LIG 1 5.540 2.912 1.202 0.00 0.00 +0.015 A BRANCH 27 34 ATOM 33 O LIG 1 7.881 4.457 0.366 0.00 0.00 -0.245 OA ATOM 34 C LIG 1 7.627 3.343 -0.053 0.00 0.00 +0.337 C BRANCH 34 35 ATOM 35 O LIG 1 8.546 2.520 -0.604 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 8.239 1.604 -0.737 0.00 0.00 +0.295 HD ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8