REMARK Name = BDB034577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.217 0.007 0.472 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.972 -1.095 0.824 0.00 0.00 -0.280 N ATOM 3 H LIG 1 0.477 -1.752 1.426 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.556 0.945 -0.239 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.329 0.920 1.375 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -3.629 -0.196 2.171 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -2.682 -1.202 2.381 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -1.444 -1.118 1.836 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -1.162 -0.029 1.065 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -2.057 0.999 0.809 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -3.006 -2.401 3.238 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -2.732 -3.793 2.713 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -4.146 -3.321 2.868 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 15 ATOM 14 C LIG 1 -4.577 2.791 2.432 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -4.359 2.015 1.122 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 N LIG 1 -5.613 1.458 0.578 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -5.416 0.824 -0.743 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -6.808 0.836 -1.329 0.00 0.00 -0.015 C ATOM 19 C LIG 1 -7.000 0.767 -2.829 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -7.383 -0.406 -1.976 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -7.680 1.721 -0.491 0.00 0.00 +0.023 C ATOM 22 C LIG 1 -6.668 2.462 0.374 0.00 0.00 +0.085 C ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 2.291 -1.411 0.459 0.00 0.00 +0.034 A ATOM 24 C LIG 1 3.094 -0.599 -0.352 0.00 0.00 +0.027 A ATOM 25 C LIG 1 4.426 -0.932 -0.716 0.00 0.00 -0.032 A ATOM 26 C LIG 1 4.895 -2.160 -0.205 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.111 -2.982 0.611 0.00 0.00 +0.002 A ATOM 28 C LIG 1 2.815 -2.608 0.941 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 C LIG 1 5.297 0.063 -1.686 0.00 0.00 +0.080 C ATOM 30 C LIG 1 4.590 0.442 -3.019 0.00 0.00 +0.177 C ATOM 31 O LIG 1 4.845 1.851 -2.802 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 5.206 1.591 -1.423 0.00 0.00 +0.177 C BRANCH 29 33 ATOM 33 C LIG 1 6.748 -0.392 -1.942 0.00 0.00 +0.248 C ATOM 34 F LIG 1 7.217 0.242 -3.062 0.00 0.00 -0.236 F BRANCH 33 35 ATOM 35 C LIG 1 7.681 -0.145 -0.796 0.00 0.00 +0.168 A ATOM 36 N LIG 1 8.878 0.525 -0.873 0.00 0.00 -0.318 N ATOM 37 C LIG 1 9.491 1.127 -2.026 0.00 0.00 +0.151 C ATOM 38 C LIG 1 9.398 0.523 0.385 0.00 0.00 +0.224 A ATOM 39 N LIG 1 8.587 -0.115 1.193 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 7.511 -0.535 0.454 0.00 0.00 -0.132 NA ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 29 ENDBRANCH 2 23 TORSDOF 8