REMARK Name = BDB039133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.651 -3.293 0.617 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.040 -2.146 0.143 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.614 -1.911 0.358 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.048 -0.735 -0.396 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.856 0.091 -1.211 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.298 1.166 -1.913 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.938 1.475 -1.815 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.145 0.660 -0.994 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.212 0.661 -0.666 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.421 -0.376 0.235 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.711 -1.029 0.436 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.322 -0.227 -1.368 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.679 -0.412 -0.297 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.863 -0.987 -0.161 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.865 -3.465 0.641 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.671 -0.838 0.948 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.562 -1.741 0.083 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -4.044 -1.685 0.470 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -4.272 -1.593 1.982 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.511 -0.418 2.630 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.449 0.218 1.722 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -3.938 -2.926 2.642 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -2.913 -3.167 3.258 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.906 -3.857 2.470 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -5.675 -3.551 1.955 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 5.341 -5.418 1.558 0.00 0.00 +0.282 C ATOM 27 O LIG 1 4.753 -4.216 1.059 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.123 1.669 -1.220 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.433 1.122 -1.788 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.264 2.880 -0.275 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -1.944 4.070 -0.906 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -1.256 4.899 -1.796 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -1.928 5.971 -2.362 0.00 0.00 +0.111 A ATOM 34 N LIG 1 -3.220 6.267 -2.106 0.00 0.00 -0.263 NA ATOM 35 C LIG 1 -3.866 5.460 -1.239 0.00 0.00 +0.111 A ATOM 36 C LIG 1 -3.281 4.364 -0.622 0.00 0.00 +0.023 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7