REMARK Name = BDB034118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.271 1.342 -0.433 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -2.902 2.699 -0.466 0.00 0.00 +0.124 A ATOM 3 C LIG 1 -1.771 3.131 -1.169 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.008 2.220 -1.893 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.367 0.870 -1.884 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.495 0.436 -1.178 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.867 -2.629 1.313 0.00 0.00 +0.218 C ATOM 8 N LIG 1 -5.916 -1.648 1.043 0.00 0.00 -0.301 N ATOM 9 C LIG 1 -5.686 -1.268 -0.353 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -5.566 0.244 -0.512 0.00 0.00 +0.027 C ATOM 11 C LIG 1 -4.461 0.849 0.379 0.00 0.00 +0.026 C ATOM 12 C LIG 1 -4.023 -0.107 1.504 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -5.217 -0.869 2.067 0.00 0.00 +0.108 C ATOM 14 O LIG 1 -7.487 -3.195 0.410 0.00 0.00 -0.275 OA BRANCH 7 16 ATOM 15 C LIG 1 -8.505 -3.571 2.974 0.00 0.00 +0.017 C ATOM 16 C LIG 1 -7.085 -3.037 2.773 0.00 0.00 +0.069 C ATOM 17 C LIG 1 -6.064 -4.109 3.160 0.00 0.00 +0.017 C ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 5 18 ATOM 18 C LIG 1 -0.579 -0.118 -2.654 0.00 0.00 +0.247 C ATOM 19 N LIG 1 0.799 -0.212 -2.410 0.00 0.00 -0.297 N ATOM 20 C LIG 1 1.527 -1.173 -3.236 0.00 0.00 +0.111 C ATOM 21 C LIG 1 3.021 -0.885 -3.272 0.00 0.00 +0.063 C ATOM 22 C LIG 1 3.588 -0.781 -1.857 0.00 0.00 +0.176 C ATOM 23 C LIG 1 2.829 0.298 -1.084 0.00 0.00 +0.063 C ATOM 24 C LIG 1 1.338 0.002 -1.063 0.00 0.00 +0.111 C ATOM 25 O LIG 1 -1.175 -0.800 -3.483 0.00 0.00 -0.270 OA BRANCH 22 26 ATOM 26 O LIG 1 4.962 -0.374 -1.931 0.00 0.00 -0.489 OA BRANCH 26 27 ATOM 27 C LIG 1 5.855 -1.284 -1.435 0.00 0.00 +0.125 A ATOM 28 C LIG 1 6.819 -0.792 -0.545 0.00 0.00 +0.069 A ATOM 29 C LIG 1 7.817 -1.615 0.006 0.00 0.00 +0.036 A ATOM 30 C LIG 1 7.799 -2.963 -0.384 0.00 0.00 +0.061 A ATOM 31 C LIG 1 6.854 -3.442 -1.290 0.00 0.00 +0.129 A ATOM 32 F LIG 1 6.886 -4.733 -1.648 0.00 0.00 -0.205 F ATOM 33 C LIG 1 5.885 -2.612 -1.831 0.00 0.00 +0.084 A BRANCH 29 34 ATOM 34 N LIG 1 8.762 -1.139 0.906 0.00 0.00 -0.327 N ATOM 35 C LIG 1 8.627 0.185 1.535 0.00 0.00 +0.120 C ATOM 36 C LIG 1 9.533 0.283 2.785 0.00 0.00 +0.100 C ATOM 37 N LIG 1 10.971 0.064 2.543 0.00 0.00 -0.313 NA ATOM 38 H LIG 1 11.354 -0.447 3.338 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 11.195 -0.707 1.308 0.00 0.00 +0.100 C ATOM 40 C LIG 1 10.105 -1.748 0.956 0.00 0.00 +0.120 C ENDBRANCH 29 34 ENDBRANCH 26 27 ENDBRANCH 22 26 ENDBRANCH 5 18 BRANCH 2 41 ATOM 41 O LIG 1 -3.585 3.642 0.257 0.00 0.00 -0.487 OA BRANCH 41 42 ATOM 42 C LIG 1 -4.694 4.169 -0.479 0.00 0.00 +0.188 C ATOM 43 C LIG 1 -4.319 5.332 -1.393 0.00 0.00 +0.125 C ATOM 44 N LIG 1 -5.498 6.207 -1.476 0.00 0.00 -0.312 NA ATOM 45 H LIG 1 -5.968 6.082 -2.373 0.00 0.00 +0.122 HD ATOM 46 C LIG 1 -6.410 5.816 -0.392 0.00 0.00 +0.084 C ATOM 47 C LIG 1 -5.645 4.850 0.492 0.00 0.00 +0.061 C ENDBRANCH 41 42 ENDBRANCH 2 41 TORSDOF 8