REMARK Name = BDB052851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.048 -0.926 -0.638 0.00 0.00 +0.106 A ATOM 2 C LIG 1 0.276 -2.087 0.122 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -0.924 -2.711 0.478 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -0.915 -3.946 1.161 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.310 -4.507 1.536 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.506 -3.878 1.220 0.00 0.00 +0.001 A ATOM 7 N LIG 1 -1.972 -1.936 -0.034 0.00 0.00 -0.280 N ATOM 8 C LIG 1 1.501 -2.679 0.506 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -1.429 -0.855 -0.727 0.00 0.00 +0.219 A ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 4.918 0.684 -0.362 0.00 0.00 +0.029 C ATOM 11 C LIG 1 3.969 1.896 -0.272 0.00 0.00 +0.029 C ATOM 12 N LIG 1 3.665 2.216 1.144 0.00 0.00 -0.308 NA ATOM 13 H LIG 1 4.529 2.258 1.683 0.00 0.00 +0.123 HD ATOM 14 C LIG 1 2.752 1.239 1.755 0.00 0.00 +0.100 C ATOM 15 C LIG 1 1.474 1.008 0.936 0.00 0.00 +0.123 C ATOM 16 N LIG 1 1.774 0.681 -0.460 0.00 0.00 -0.294 N ATOM 17 C LIG 1 0.882 -0.011 -1.284 0.00 0.00 +0.252 C ATOM 18 O LIG 1 0.897 0.099 -2.509 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 2.683 1.628 -1.107 0.00 0.00 +0.129 C ATOM 20 C LIG 1 4.691 3.122 -0.858 0.00 0.00 +0.029 C ENDBRANCH 1 17 BRANCH 7 21 ATOM 21 C LIG 1 -3.370 -2.178 0.158 0.00 0.00 +0.050 A ATOM 22 C LIG 1 -3.843 -2.662 1.386 0.00 0.00 +0.026 A ATOM 23 C LIG 1 -5.209 -2.885 1.576 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -6.110 -2.623 0.546 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.649 -2.133 -0.674 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -4.284 -1.906 -0.869 0.00 0.00 +0.026 A ENDBRANCH 7 21 BRANCH 9 27 ATOM 27 O LIG 1 -2.221 0.064 -1.299 0.00 0.00 -0.439 OA BRANCH 27 28 ATOM 28 C LIG 1 -2.007 1.391 -1.018 0.00 0.00 +0.130 A ATOM 29 C LIG 1 -2.218 1.889 0.269 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -2.019 3.246 0.522 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -1.620 4.097 -0.510 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.429 3.595 -1.799 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -1.633 2.240 -2.057 0.00 0.00 +0.046 A ENDBRANCH 27 28 ENDBRANCH 9 27 TORSDOF 4