REMARK Name = BDB024270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.459 -1.512 0.573 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.142 -3.003 0.660 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.608 -3.559 1.833 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.314 -4.921 1.903 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.559 -5.744 0.806 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.103 -5.209 -0.360 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.397 -3.846 -0.434 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.194 -0.638 0.889 0.00 0.00 +0.239 C ATOM 9 N LIG 1 0.889 -0.967 0.073 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.788 -1.801 -0.493 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.189 0.260 1.727 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.157 -0.352 0.030 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.120 -0.933 -0.801 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.403 -0.383 -0.908 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.750 0.764 -0.185 0.00 0.00 -0.015 A ATOM 16 C LIG 1 3.784 1.343 0.645 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.499 0.792 0.750 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.079 1.344 -0.277 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.913 1.264 -1.375 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.046 1.952 -1.048 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.209 2.155 -1.877 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.016 2.479 0.188 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.819 2.112 0.654 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.598 -1.211 1.465 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -3.271 -1.973 1.424 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.263 0.067 1.188 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.268 -0.948 -0.058 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.155 0.108 -0.081 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.732 1.505 -0.282 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.684 2.042 0.598 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.195 3.328 0.399 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.759 4.097 -0.683 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.808 3.574 -1.563 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.298 2.288 -1.363 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.284 5.415 -0.890 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.712 6.480 -1.061 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9