REMARK Name = BDB024809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.814 -3.501 0.432 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.828 -2.104 0.263 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.065 -1.364 0.592 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.118 -1.020 2.086 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.259 -0.144 -0.303 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.087 0.801 -0.172 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.784 0.074 -0.338 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.630 0.813 -0.691 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.504 2.162 -0.923 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.239 2.371 -1.227 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.470 1.190 -1.182 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.408 0.179 -0.851 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.256 -1.191 -0.670 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.400 -1.917 -0.305 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.665 -1.328 -0.129 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -2.896 -4.268 0.166 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.041 -5.388 1.137 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.994 -3.973 0.946 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.884 0.998 -1.448 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.653 0.718 -0.173 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.357 -0.467 -0.172 0.00 0.00 -0.310 N ATOM 22 H LIG 1 3.483 -0.988 -1.031 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.645 1.482 0.788 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.143 -0.856 0.977 0.00 0.00 +0.139 C BRANCH 24 25 ATOM 25 C LIG 1 4.542 -2.300 0.874 0.00 0.00 -0.024 A ATOM 26 C LIG 1 5.835 -2.667 0.484 0.00 0.00 +0.072 A ATOM 27 C LIG 1 6.129 -4.016 0.374 0.00 0.00 +0.213 A ATOM 28 N LIG 1 5.248 -5.001 0.607 0.00 0.00 -0.221 NA ATOM 29 C LIG 1 4.007 -4.630 0.982 0.00 0.00 +0.115 A ATOM 30 C LIG 1 3.609 -3.311 1.126 0.00 0.00 +0.025 A BRANCH 27 31 ATOM 31 O LIG 1 7.371 -4.439 0.005 0.00 0.00 -0.492 OA ATOM 32 H LIG 1 7.949 -3.666 -0.064 0.00 0.00 +0.294 HD ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 33 ATOM 33 C LIG 1 0.331 3.706 -1.575 0.00 0.00 +0.097 C BRANCH 33 34 ATOM 34 C LIG 1 0.910 4.402 -0.351 0.00 0.00 +0.151 C BRANCH 34 35 ATOM 35 N LIG 1 1.485 5.688 -0.697 0.00 0.00 -0.271 N ATOM 36 N LIG 1 2.604 5.738 -1.448 0.00 0.00 -0.180 NA ATOM 37 C LIG 1 2.846 7.046 -1.562 0.00 0.00 +0.134 A ATOM 38 C LIG 1 1.886 7.830 -0.897 0.00 0.00 +0.041 A ATOM 39 C LIG 1 1.015 6.920 -0.346 0.00 0.00 +0.108 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 9