REMARK Name = BDB005136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.887 3.092 -0.849 0.00 0.00 -0.026 A ATOM 2 C LIG 1 1.665 2.414 -0.684 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.810 2.179 -1.764 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.165 2.664 -3.026 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.371 3.341 -3.213 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.230 3.545 -2.134 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.413 1.483 -1.659 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -0.954 1.420 -2.511 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -0.878 0.760 -0.575 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -0.276 0.514 0.464 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.242 0.186 -0.754 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.517 -1.073 -0.211 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -3.784 -1.639 -0.364 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.797 -0.949 -1.048 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -4.520 0.321 -1.573 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -3.251 0.890 -1.424 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 C LIG 1 -6.170 -1.571 -1.212 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 -6.816 -1.873 0.067 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 -8.071 -2.604 -0.112 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -8.729 -2.491 1.254 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -8.169 -1.209 1.859 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -7.184 -0.676 0.828 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 3.244 3.620 1.678 0.00 0.00 +0.033 C ATOM 24 C LIG 1 3.854 3.322 0.306 0.00 0.00 +0.099 C BRANCH 24 25 ATOM 25 N LIG 1 4.925 2.311 0.341 0.00 0.00 -0.322 N ATOM 26 H LIG 1 5.362 2.255 -0.575 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 4.655 0.991 0.752 0.00 0.00 +0.130 A ATOM 28 C LIG 1 5.692 0.035 0.752 0.00 0.00 +0.041 A ATOM 29 C LIG 1 5.345 -1.280 1.125 0.00 0.00 +0.088 A ATOM 30 C LIG 1 6.367 -2.252 1.113 0.00 0.00 +0.063 A ATOM 31 C LIG 1 7.689 -1.923 0.755 0.00 0.00 +0.015 A ATOM 32 C LIG 1 8.023 -0.625 0.406 0.00 0.00 +0.002 A ATOM 33 N LIG 1 4.075 -1.579 1.477 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 3.178 -0.588 1.477 0.00 0.00 +0.223 A ATOM 35 C LIG 1 7.032 0.347 0.406 0.00 0.00 +0.013 A ATOM 36 N LIG 1 3.420 0.678 1.151 0.00 0.00 -0.220 NA BRANCH 30 37 ATOM 37 C LIG 1 6.138 -3.687 1.475 0.00 0.00 +0.244 C ATOM 38 O LIG 1 7.051 -4.508 1.457 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 4.882 -4.077 1.829 0.00 0.00 -0.325 N ATOM 40 H LIG 1 4.119 -3.406 1.860 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 4.717 -5.039 2.087 0.00 0.00 +0.145 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8