REMARK Name = BDB027070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.167 0.034 -0.616 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.203 1.499 -1.037 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.359 2.555 -0.125 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.380 3.882 -0.560 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.245 4.175 -1.914 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.089 3.143 -2.835 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.069 1.816 -2.401 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.224 -0.608 -0.879 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.300 -1.527 -1.703 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -5.597 -0.897 -0.442 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -5.005 -0.043 0.502 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.610 0.109 0.483 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.787 -0.549 -0.430 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -1.428 -0.157 -0.161 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -1.487 0.713 0.913 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -3.397 -1.403 -1.373 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -2.796 0.875 1.280 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -3.122 1.467 2.032 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -4.790 -1.565 -1.369 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 -10.348 -1.349 0.939 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -9.133 -1.284 0.163 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -9.187 -1.483 -1.166 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -7.912 -1.365 -1.549 0.00 0.00 +0.142 A ATOM 24 C LIG 1 -7.039 -1.084 -0.472 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -7.873 -1.041 0.627 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 1.618 -0.233 0.782 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 1.059 -1.008 1.147 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.026 -0.660 0.855 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.053 0.422 0.490 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.470 -0.069 0.688 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.124 0.129 1.913 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.424 -0.342 2.104 0.00 0.00 +0.015 A ATOM 33 C LIG 1 8.080 -1.011 1.065 0.00 0.00 +0.059 A ATOM 34 C LIG 1 7.427 -1.235 -0.150 0.00 0.00 +0.015 A ATOM 35 C LIG 1 6.128 -0.761 -0.338 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 9.458 -1.524 1.232 0.00 0.00 +0.337 C ATOM 37 O LIG 1 9.819 -2.614 0.828 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 10.275 -0.637 1.839 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 9.893 0.254 1.946 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10