REMARK Name = BDB039028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.443 -4.150 -0.993 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.204 -2.791 -0.898 0.00 0.00 -0.263 N ATOM 3 C LIG 1 2.903 -2.285 -0.468 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.722 -0.796 -0.615 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.754 0.037 -1.103 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.551 1.416 -1.249 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.340 2.018 -0.895 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.329 1.188 -0.396 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.035 1.422 0.046 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.506 0.203 0.420 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.373 -0.766 0.246 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.067 -0.575 -1.525 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.504 -0.183 -0.256 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.336 -1.884 -0.789 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.553 -4.642 -1.163 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.892 -0.040 0.958 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.827 -0.644 2.376 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -1.887 -2.171 2.368 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -3.174 -2.697 1.710 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.776 -1.714 0.691 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.688 -0.923 -0.024 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -4.191 -3.063 2.780 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -5.137 -2.369 3.117 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.935 -4.258 3.363 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.138 -4.704 3.019 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 3.509 -6.298 -0.980 0.00 0.00 +0.282 C ATOM 27 O LIG 1 3.305 -4.889 -0.875 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -0.591 2.748 0.071 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -0.902 3.216 1.497 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.780 2.846 -0.907 0.00 0.00 +0.061 C BRANCH 30 31 ATOM 31 C LIG 1 -2.156 4.266 -1.241 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -1.423 5.004 -2.166 0.00 0.00 +0.114 A ATOM 33 N LIG 1 -1.689 6.287 -2.494 0.00 0.00 -0.263 NA ATOM 34 C LIG 1 -2.743 6.865 -1.880 0.00 0.00 +0.111 A ATOM 35 C LIG 1 -3.539 6.219 -0.950 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -3.239 4.899 -0.626 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7