REMARK Name = BDB024099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.772 -1.109 1.858 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.735 -2.453 1.132 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.444 -3.617 1.867 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.374 -4.862 1.236 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.587 -4.962 -0.138 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.867 -3.818 -0.885 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.934 -2.573 -0.256 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.338 -0.229 0.993 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.179 -0.342 0.127 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.329 -0.605 2.145 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.088 -0.538 3.304 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.320 1.010 0.688 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.695 0.717 1.897 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.407 0.322 2.030 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.663 0.205 0.920 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.179 0.490 -0.340 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.515 0.891 -0.451 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.776 2.666 0.462 0.00 0.00 +0.088 C ATOM 19 C LIG 1 8.351 2.211 0.499 0.00 0.00 +0.126 A ATOM 20 N LIG 1 7.477 2.824 -0.319 0.00 0.00 -0.240 NA ATOM 21 C LIG 1 6.189 2.417 -0.234 0.00 0.00 +0.122 A ATOM 22 C LIG 1 5.726 1.423 0.617 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.722 0.873 1.404 0.00 0.00 +0.122 A ATOM 24 N LIG 1 8.022 1.245 1.379 0.00 0.00 -0.240 NA ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.492 -0.032 1.117 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.254 0.854 1.567 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.954 -0.200 1.219 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.715 0.908 0.444 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -6.224 0.785 0.694 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -4.405 0.908 -1.050 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -3.753 2.009 -1.629 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.447 2.023 -2.995 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.792 0.936 -3.803 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.445 -0.165 -3.238 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.746 -0.181 -1.872 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -3.471 0.946 -5.199 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -3.202 0.961 -6.328 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9