REMARK Name = BDB024204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.885 0.547 0.106 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.925 2.012 0.531 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.929 2.874 0.057 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.967 4.212 0.453 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.005 4.706 1.331 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.008 3.862 1.817 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.970 2.523 1.422 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 1.735 0.438 -1.442 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.519 0.431 -2.061 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.622 0.414 -3.066 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 2.715 0.369 -2.202 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -0.775 0.458 -1.550 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -1.006 0.413 -0.230 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -2.299 0.434 0.189 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -3.405 0.493 -0.652 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -3.139 0.532 -2.019 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -1.817 0.512 -2.472 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -4.755 0.518 -0.120 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -5.891 0.135 -0.803 0.00 0.00 +0.117 A ATOM 20 N LIG 1 -6.939 0.291 0.067 0.00 0.00 -0.268 N ATOM 21 N LIG 1 -6.565 0.774 1.263 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -5.241 0.903 1.152 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 -8.345 0.006 -0.314 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -8.645 -1.514 -0.361 0.00 0.00 +0.027 C ATOM 25 C LIG 1 -9.159 -1.410 1.088 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -9.373 0.096 0.842 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 3.134 -0.120 0.570 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 3.278 0.115 1.550 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 3.088 -1.575 0.405 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 4.240 -3.784 0.768 0.00 0.00 +0.014 C ATOM 31 C LIG 1 4.373 -2.264 0.936 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 5.691 -1.804 0.323 0.00 0.00 -0.043 A ATOM 33 C LIG 1 6.868 -1.899 1.087 0.00 0.00 +0.005 A ATOM 34 C LIG 1 8.100 -1.502 0.560 0.00 0.00 +0.019 A ATOM 35 C LIG 1 8.178 -1.007 -0.744 0.00 0.00 +0.052 A ATOM 36 C LIG 1 7.018 -0.913 -1.516 0.00 0.00 +0.019 A ATOM 37 C LIG 1 5.787 -1.313 -0.987 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 9.440 -0.597 -1.285 0.00 0.00 +0.099 C ATOM 39 N LIG 1 10.466 -0.271 -1.720 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10