REMARK Name = BDB043332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.269 0.986 -1.982 0.00 0.00 +0.205 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.794 0.960 -1.744 0.00 0.00 +0.242 C ATOM 3 N LIG 1 -2.154 0.687 -0.438 0.00 0.00 -0.308 N ATOM 4 H LIG 1 -1.444 0.486 0.252 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -2.625 1.154 -2.631 0.00 0.00 -0.273 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.544 0.700 -0.002 0.00 0.00 +0.104 C BRANCH 6 7 ATOM 7 C LIG 1 -4.216 -0.684 -0.185 0.00 0.00 +0.028 C BRANCH 7 8 ATOM 8 C LIG 1 -3.844 -1.901 0.691 0.00 0.00 -0.009 C ATOM 9 C LIG 1 -4.602 -1.946 2.034 0.00 0.00 +0.003 C ATOM 10 C LIG 1 -3.871 -2.736 3.123 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -3.126 -3.927 2.534 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -2.054 -3.493 1.536 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -2.344 -2.149 0.861 0.00 0.00 +0.003 C ENDBRANCH 7 8 ENDBRANCH 6 7 BRANCH 6 14 ATOM 14 C LIG 1 -3.726 1.356 1.393 0.00 0.00 +0.163 C BRANCH 14 15 ATOM 15 O LIG 1 -2.887 0.692 2.365 0.00 0.00 -0.387 OA ATOM 16 H LIG 1 -3.272 0.882 3.242 0.00 0.00 +0.210 HD ENDBRANCH 14 15 BRANCH 14 17 ATOM 17 C LIG 1 -3.364 2.861 1.478 0.00 0.00 +0.145 C BRANCH 17 18 ATOM 18 O LIG 1 -1.934 3.000 1.394 0.00 0.00 -0.389 OA ATOM 19 H LIG 1 -1.575 2.291 1.963 0.00 0.00 +0.210 HD ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 C LIG 1 -3.988 3.817 0.454 0.00 0.00 +0.037 C BRANCH 20 21 ATOM 21 C LIG 1 -5.519 4.012 0.461 0.00 0.00 -0.015 C ATOM 22 C LIG 1 -6.103 4.170 1.866 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -6.276 2.939 -0.319 0.00 0.00 +0.007 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 6 14 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 O LIG 1 0.134 -0.385 -2.136 0.00 0.00 -0.355 OA BRANCH 24 25 ATOM 25 C LIG 1 1.160 -0.823 -1.235 0.00 0.00 +0.209 C BRANCH 25 26 ATOM 26 C LIG 1 2.595 -0.330 -1.584 0.00 0.00 +0.245 C ATOM 27 N LIG 1 3.591 -0.354 -0.598 0.00 0.00 -0.299 N ATOM 28 C LIG 1 4.961 -0.134 -1.070 0.00 0.00 +0.110 C ATOM 29 C LIG 1 5.892 0.413 0.004 0.00 0.00 +0.050 C ATOM 30 C LIG 1 5.823 -0.436 1.269 0.00 0.00 +0.124 C ATOM 31 C LIG 1 4.377 -0.490 1.753 0.00 0.00 +0.050 C ATOM 32 C LIG 1 3.456 -1.051 0.680 0.00 0.00 +0.110 C ATOM 33 O LIG 1 2.846 0.104 -2.712 0.00 0.00 -0.273 OA BRANCH 30 34 ATOM 34 O LIG 1 6.601 0.117 2.331 0.00 0.00 -0.351 OA BRANCH 34 35 ATOM 35 C LIG 1 8.005 0.057 2.106 0.00 0.00 +0.322 C BRANCH 35 36 ATOM 36 O LIG 1 8.728 0.093 3.331 0.00 0.00 -0.357 OA ATOM 37 C LIG 1 8.491 1.292 4.055 0.00 0.00 +0.196 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 25 26 BRANCH 25 38 ATOM 38 C LIG 1 1.089 -2.366 -1.174 0.00 0.00 +0.076 C BRANCH 38 39 ATOM 39 C LIG 1 1.744 -3.158 -2.288 0.00 0.00 -0.044 A ATOM 40 C LIG 1 1.572 -2.817 -3.636 0.00 0.00 +0.004 A ATOM 41 C LIG 1 2.145 -3.593 -4.647 0.00 0.00 +0.000 A ATOM 42 C LIG 1 2.884 -4.728 -4.323 0.00 0.00 +0.000 A ATOM 43 C LIG 1 3.053 -5.089 -2.988 0.00 0.00 +0.000 A ATOM 44 C LIG 1 2.483 -4.311 -1.977 0.00 0.00 +0.004 A ENDBRANCH 38 39 ENDBRANCH 25 38 ENDBRANCH 24 25 ENDBRANCH 1 24 BRANCH 1 45 ATOM 45 C LIG 1 0.087 1.766 -3.256 0.00 0.00 +0.041 C BRANCH 45 47 ATOM 46 C LIG 1 0.292 4.020 -2.056 0.00 0.00 +0.004 C ATOM 47 C LIG 1 -0.282 3.254 -3.240 0.00 0.00 -0.000 C ENDBRANCH 45 47 ENDBRANCH 1 45 TORSDOF 20