REMARK Name = BDB024477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.607 -0.390 0.818 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -0.482 0.440 0.966 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.285 1.405 1.226 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.552 -1.509 0.319 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.204 0.017 1.686 0.00 0.00 +0.123 A ATOM 6 N LIG 1 4.206 1.278 2.147 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 3.039 1.941 2.150 0.00 0.00 +0.224 A ATOM 8 N LIG 1 1.865 1.466 1.735 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.903 0.187 1.297 0.00 0.00 +0.130 A ATOM 10 C LIG 1 3.043 -0.585 1.255 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 5.381 -0.744 1.695 0.00 0.00 -0.326 N ATOM 12 H LIG 1 5.478 -1.265 0.828 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 10.129 -0.610 -1.698 0.00 0.00 +0.109 C ATOM 14 C LIG 1 9.714 -1.477 -0.536 0.00 0.00 +0.212 C ATOM 15 N LIG 1 8.709 -0.987 0.299 0.00 0.00 -0.302 N ATOM 16 C LIG 1 7.791 0.072 -0.116 0.00 0.00 +0.109 C ATOM 17 C LIG 1 7.208 0.837 1.067 0.00 0.00 +0.041 C ATOM 18 C LIG 1 6.617 -0.085 2.138 0.00 0.00 +0.075 C ATOM 19 C LIG 1 7.646 -1.147 2.538 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.220 -1.890 1.339 0.00 0.00 +0.109 C ATOM 21 O LIG 1 10.267 -2.562 -0.350 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.761 0.151 0.345 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.877 1.001 0.959 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -2.620 2.389 0.677 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.951 2.510 -0.237 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.282 0.638 0.430 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.438 1.063 -0.982 0.00 0.00 -0.294 NA ATOM 28 C LIG 1 -5.683 1.847 -1.184 0.00 0.00 +0.138 C ATOM 29 C LIG 1 -6.874 0.960 -1.258 0.00 0.00 +0.034 A ATOM 30 N LIG 1 -8.169 1.345 -1.056 0.00 0.00 -0.357 N ATOM 31 H LIG 1 -8.480 2.277 -0.816 0.00 0.00 +0.166 HD ATOM 32 C LIG 1 -9.009 0.265 -1.233 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -8.211 -0.838 -1.558 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -8.834 -2.079 -1.788 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -10.227 -2.177 -1.691 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -10.997 -1.062 -1.367 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -10.402 0.182 -1.131 0.00 0.00 +0.026 A ATOM 38 C LIG 1 -6.867 -0.382 -1.571 0.00 0.00 -0.017 A ATOM 39 C LIG 1 -5.590 -1.103 -1.826 0.00 0.00 +0.053 C ATOM 40 C LIG 1 -4.407 -0.097 -1.922 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8