REMARK Name = BDB043183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.045 0.027 -0.791 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -0.880 -1.254 -0.565 0.00 0.00 +0.234 C ATOM 3 O LIG 1 -0.360 -2.374 -0.525 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -2.241 -1.178 -0.440 0.00 0.00 -0.308 N ATOM 5 H LIG 1 -2.667 -2.087 -0.291 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 -3.070 0.024 -0.262 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -3.388 0.292 1.230 0.00 0.00 +0.243 C ATOM 8 C LIG 1 -3.848 1.744 1.374 0.00 0.00 +0.338 C ATOM 9 O LIG 1 -5.012 2.080 1.550 0.00 0.00 -0.248 OA ATOM 10 O LIG 1 -2.801 2.598 1.196 0.00 0.00 -0.463 OA ATOM 11 C LIG 1 -3.129 3.987 1.224 0.00 0.00 +0.235 C ATOM 12 C LIG 1 -1.963 4.792 0.655 0.00 0.00 +0.082 C ATOM 13 C LIG 1 -1.726 4.516 -0.830 0.00 0.00 +0.235 C ATOM 14 O LIG 1 -0.900 3.354 -0.999 0.00 0.00 -0.465 OA ATOM 15 C LIG 1 -0.712 2.999 -2.297 0.00 0.00 +0.307 C ATOM 16 O LIG 1 -1.315 3.474 -3.252 0.00 0.00 -0.251 OA ATOM 17 C LIG 1 0.343 1.933 -2.435 0.00 0.00 +0.123 C ATOM 18 C LIG 1 -0.220 0.530 -2.229 0.00 0.00 +0.043 C ENDROOT BRANCH 1 20 ATOM 19 C LIG 1 2.157 0.296 0.354 0.00 0.00 +0.234 C ATOM 20 N LIG 1 1.351 -0.338 -0.559 0.00 0.00 -0.302 N ATOM 21 H LIG 1 1.625 -1.260 -0.891 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 1.815 1.316 0.954 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 3.550 -0.339 0.540 0.00 0.00 +0.166 C BRANCH 23 25 ATOM 24 C LIG 1 5.069 -0.516 2.481 0.00 0.00 +0.401 C ATOM 25 N LIG 1 4.062 0.114 1.826 0.00 0.00 -0.269 N ATOM 26 H LIG 1 3.631 0.917 2.272 0.00 0.00 +0.153 HD ATOM 27 O LIG 1 5.659 -1.496 2.057 0.00 0.00 -0.226 OA BRANCH 24 28 ATOM 28 O LIG 1 5.299 0.118 3.652 0.00 0.00 -0.445 OA BRANCH 28 30 ATOM 29 C LIG 1 6.276 0.617 5.747 0.00 0.00 +0.055 C ATOM 30 C LIG 1 6.338 -0.345 4.551 0.00 0.00 +0.107 C ATOM 31 C LIG 1 7.723 -0.236 3.903 0.00 0.00 +0.055 C ATOM 32 C LIG 1 6.052 -1.767 5.051 0.00 0.00 +0.055 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 23 25 BRANCH 23 33 ATOM 33 C LIG 1 4.493 0.060 -0.609 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 4.174 -0.615 -1.924 0.00 0.00 -0.045 A ATOM 35 C LIG 1 4.345 -2.000 -2.070 0.00 0.00 +0.004 A ATOM 36 C LIG 1 4.012 -2.630 -3.270 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.513 -1.883 -4.336 0.00 0.00 +0.000 A ATOM 38 C LIG 1 3.354 -0.504 -4.207 0.00 0.00 +0.000 A ATOM 39 C LIG 1 3.688 0.128 -3.008 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 7 40 ATOM 40 O LIG 1 -2.235 0.046 2.045 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -1.911 -0.846 1.827 0.00 0.00 +0.211 HD ENDBRANCH 7 40 BRANCH 6 42 ATOM 42 C LIG 1 -4.290 0.009 -1.212 0.00 0.00 +0.029 C BRANCH 42 43 ATOM 43 C LIG 1 -5.118 -1.291 -1.313 0.00 0.00 -0.009 C ATOM 44 C LIG 1 -5.845 -1.656 -0.008 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -7.070 -2.556 -0.205 0.00 0.00 +0.000 C ATOM 46 C LIG 1 -6.971 -3.393 -1.472 0.00 0.00 +0.000 C ATOM 47 C LIG 1 -6.845 -2.517 -2.719 0.00 0.00 +0.000 C ATOM 48 C LIG 1 -6.133 -1.186 -2.463 0.00 0.00 +0.003 C ENDBRANCH 42 43 ENDBRANCH 6 42 TORSDOF 10