REMARK Name = BDB024226 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.177 0.867 0.463 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.262 -0.581 -0.009 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.157 -1.608 0.854 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.083 -2.946 0.464 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.422 -3.279 -0.791 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.857 -2.275 -1.653 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.782 -0.936 -1.265 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.154 2.012 -1.409 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.078 2.696 -2.147 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.004 1.912 -0.679 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.894 2.716 -0.976 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.833 0.115 -1.047 0.00 0.00 +0.084 A ATOM 13 C LIG 1 3.808 -0.068 -0.131 0.00 0.00 +0.140 A ATOM 14 N LIG 1 2.598 0.544 -0.220 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.375 1.357 -1.261 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.353 1.606 -2.220 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.597 0.977 -2.116 0.00 0.00 +0.032 A BRANCH 12 21 ATOM 18 C LIG 1 8.063 -2.796 1.044 0.00 0.00 +0.067 C ATOM 19 C LIG 1 7.504 -1.851 0.047 0.00 0.00 +0.060 A ATOM 20 N LIG 1 6.259 -1.385 0.189 0.00 0.00 -0.172 NA ATOM 21 N LIG 1 6.063 -0.563 -0.873 0.00 0.00 -0.238 N ATOM 22 C LIG 1 7.183 -0.512 -1.675 0.00 0.00 +0.115 A ATOM 23 C LIG 1 8.126 -1.334 -1.105 0.00 0.00 +0.044 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.317 1.261 1.357 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.257 2.276 1.448 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.647 0.917 0.832 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -3.791 1.507 1.696 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -3.799 3.042 1.711 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -5.139 0.964 1.234 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.860 0.094 2.067 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.093 -0.424 1.660 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.622 -0.080 0.413 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.911 0.783 -0.425 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.678 1.300 -0.018 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -8.886 -0.611 -0.005 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -9.909 -1.040 -0.344 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9