REMARK Name = BDB027087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.218 -0.708 0.213 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.049 -2.100 -0.387 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.256 -2.367 -1.750 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.098 -3.660 -2.255 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.747 -4.707 -1.405 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.567 -4.466 -0.046 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.724 -3.175 0.461 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.935 0.426 -0.804 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.872 0.940 -1.429 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.491 0.115 -0.049 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.067 1.180 -0.855 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.690 1.315 -1.095 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.724 0.443 -0.575 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.439 0.910 -1.029 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.691 2.022 -1.819 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.190 -0.634 0.211 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.033 2.252 -1.855 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.482 2.998 -2.369 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.562 -0.790 0.463 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 N LIG 1 6.729 1.020 0.298 0.00 0.00 -0.312 N ATOM 21 H LIG 1 6.289 1.929 0.318 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 5.932 -0.107 0.256 0.00 0.00 +0.244 C ATOM 23 O LIG 1 6.346 -1.238 0.487 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 8.296 0.927 2.187 0.00 0.00 +0.024 C ATOM 25 C LIG 1 8.124 0.941 0.679 0.00 0.00 +0.101 C ENDBRANCH 20 25 ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.600 -0.599 0.754 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.219 -0.460 -0.052 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.756 0.540 1.666 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.197 0.649 2.192 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.209 0.996 1.123 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.313 2.307 0.641 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.233 2.621 -0.363 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -7.058 1.626 -0.895 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.958 0.315 -0.420 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.037 0.003 0.583 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -8.001 1.948 -1.926 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.767 2.212 -2.757 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10