REMARK Name = BDB042151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.734 -2.470 1.806 0.00 0.00 +0.123 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.115 0.094 -1.546 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.001 -1.262 -1.806 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.677 -1.940 -2.555 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.917 -1.767 -0.960 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.449 -0.711 -0.178 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.421 -0.914 0.727 0.00 0.00 +0.013 A ATOM 8 C LIG 1 1.864 -2.204 0.835 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.368 -3.247 0.029 0.00 0.00 +0.129 A ATOM 10 F LIG 1 1.840 -4.476 0.130 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.403 -3.044 -0.878 0.00 0.00 +0.052 A ATOM 12 C LIG 1 4.205 0.538 -0.496 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 9.140 3.825 -1.983 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 8.299 2.934 -2.052 0.00 0.00 +0.219 C ATOM 15 N LIG 1 7.002 3.213 -2.401 0.00 0.00 -0.255 N ATOM 16 H LIG 1 6.792 4.194 -2.526 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 5.909 2.388 -2.260 0.00 0.00 +0.240 C ATOM 18 O LIG 1 4.775 2.858 -2.325 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.221 0.896 -2.062 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.456 0.753 -1.170 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.632 1.484 -1.797 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.435 -1.638 1.502 0.00 0.00 -0.290 NA ATOM 23 C LIG 1 -1.316 -2.221 0.422 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -2.262 -1.102 -0.095 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.251 -0.702 0.948 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -2.604 -0.722 2.292 0.00 0.00 +0.104 C ATOM 27 C LIG 1 -1.989 -3.103 1.512 0.00 0.00 +0.040 C ATOM 28 C LIG 1 -1.601 -1.903 2.420 0.00 0.00 +0.073 C BRANCH 25 29 ATOM 29 C LIG 1 -3.866 0.622 0.647 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -4.872 1.085 1.711 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -4.824 2.405 2.192 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.741 2.851 3.145 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.722 1.988 3.630 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.788 0.678 3.160 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.873 0.231 2.206 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -4.514 0.692 -0.742 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -5.391 -0.306 -1.201 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.981 -0.214 -2.464 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.708 0.878 -3.284 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.847 1.881 -2.843 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.256 1.791 -1.581 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 1 22 TORSDOF 6