REMARK Name = BDB024299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.966 0.361 0.116 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.029 1.121 -1.201 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.354 0.448 -2.390 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.385 1.133 -3.606 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.091 2.495 -3.648 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.771 3.176 -2.476 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.740 2.494 -1.259 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.486 0.154 -0.253 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.266 0.312 -1.229 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.518 0.197 0.687 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.352 0.040 1.901 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.632 -0.366 0.065 0.00 0.00 +0.048 A ATOM 13 C LIG 1 3.905 -0.168 -1.111 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.559 0.001 -1.206 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.854 -0.026 -0.061 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.458 -0.221 1.167 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.848 -0.390 1.220 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 8.286 -0.291 -0.478 0.00 0.00 +0.137 C ATOM 19 C LIG 1 6.867 -0.356 -1.069 0.00 0.00 +0.136 C ATOM 20 N LIG 1 5.993 -0.529 0.095 0.00 0.00 -0.326 N ATOM 21 C LIG 1 6.770 -0.816 1.296 0.00 0.00 +0.108 C ATOM 22 C LIG 1 8.158 -1.161 0.767 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 23 C LIG 1 10.585 -0.595 -0.979 0.00 0.00 +0.194 C ATOM 24 O LIG 1 9.244 -0.792 -1.405 0.00 0.00 -0.378 OA ENDBRANCH 18 24 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.797 1.010 1.156 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.476 0.670 2.067 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.239 0.796 0.999 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.762 -0.631 1.303 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -4.428 -1.093 2.727 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -6.261 -0.715 1.036 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.733 -1.479 -0.043 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -8.102 -1.564 -0.312 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -9.019 -0.883 0.493 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -8.560 -0.117 1.567 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.191 -0.033 1.835 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -10.423 -0.970 0.218 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -11.560 -1.042 -0.006 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10