REMARK Name = BDB049599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.297 -0.502 -0.958 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.377 -0.096 -1.973 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.510 0.803 -1.395 0.00 0.00 +0.142 A ATOM 4 N LIG 1 -1.517 1.455 -2.015 0.00 0.00 -0.237 NA ATOM 5 C LIG 1 -1.630 1.146 -3.326 0.00 0.00 +0.113 A ATOM 6 C LIG 1 -0.821 0.261 -4.021 0.00 0.00 +0.020 A ATOM 7 N LIG 1 -0.195 0.911 -0.061 0.00 0.00 -0.324 N ATOM 8 C LIG 1 0.213 -0.379 -3.341 0.00 0.00 +0.014 A ATOM 9 C LIG 1 0.899 0.111 0.232 0.00 0.00 +0.029 A ATOM 10 C LIG 1 1.442 -0.022 1.615 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 2.413 -1.425 -1.153 0.00 0.00 +0.195 C ATOM 12 O LIG 1 2.284 -2.473 -1.781 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 6.316 -0.485 0.387 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.896 -1.810 0.247 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.627 -2.107 -0.256 0.00 0.00 +0.015 A ATOM 16 C LIG 1 3.756 -1.073 -0.613 0.00 0.00 +0.023 A ATOM 17 C LIG 1 4.182 0.257 -0.493 0.00 0.00 +0.015 A ATOM 18 C LIG 1 5.455 0.548 0.011 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 8.057 0.992 1.054 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.577 -0.337 0.893 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 C LIG 1 -0.910 1.787 0.866 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 -1.988 1.061 1.636 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -3.106 0.527 0.968 0.00 0.00 +0.051 A ATOM 24 C LIG 1 -4.110 -0.142 1.668 0.00 0.00 +0.122 A ATOM 25 C LIG 1 -4.010 -0.257 3.056 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -2.916 0.278 3.736 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -1.911 0.936 3.030 0.00 0.00 +0.005 A BRANCH 24 28 ATOM 28 O LIG 1 -5.232 -0.707 1.128 0.00 0.00 -0.478 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.316 -0.819 -0.292 0.00 0.00 +0.278 C ATOM 30 C LIG 1 -6.322 -1.931 -0.579 0.00 0.00 +0.064 C BRANCH 29 31 ATOM 31 C LIG 1 -5.800 0.464 -0.969 0.00 0.00 +0.346 C ATOM 32 O LIG 1 -6.211 1.482 -0.437 0.00 0.00 -0.247 OA BRANCH 31 33 ATOM 33 O LIG 1 -5.730 0.400 -2.318 0.00 0.00 -0.478 OA ATOM 34 H LIG 1 -6.054 1.281 -2.601 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 9