REMARK Name = BDB015208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.526 -0.159 -0.710 0.00 0.00 +0.023 A ATOM 2 C LIG 1 0.534 0.734 -1.160 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -0.664 0.911 -0.463 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.884 0.228 0.730 0.00 0.00 +0.046 A ATOM 5 C LIG 1 0.082 -0.655 1.206 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.268 -0.848 0.492 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 6.014 -1.896 -1.258 0.00 0.00 -0.329 N ATOM 8 C LIG 1 4.855 -1.238 -1.618 0.00 0.00 +0.145 A ATOM 9 C LIG 1 5.020 -0.750 -2.909 0.00 0.00 +0.037 A ATOM 10 C LIG 1 3.962 -0.020 -3.439 0.00 0.00 +0.124 A ATOM 11 N LIG 1 2.843 0.171 -2.709 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 2.778 -0.368 -1.470 0.00 0.00 +0.162 A ATOM 13 C LIG 1 6.289 -1.171 -3.367 0.00 0.00 +0.031 A ATOM 14 N LIG 1 3.751 -1.085 -0.866 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 6.863 -1.905 -2.353 0.00 0.00 +0.088 A BRANCH 7 21 ATOM 16 C LIG 1 5.863 0.548 4.172 0.00 0.00 +0.109 C ATOM 17 C LIG 1 6.989 0.240 3.215 0.00 0.00 +0.212 C ATOM 18 N LIG 1 6.729 -0.686 2.201 0.00 0.00 -0.302 N ATOM 19 C LIG 1 7.752 -0.838 1.170 0.00 0.00 +0.110 C ATOM 20 C LIG 1 7.727 -2.227 0.545 0.00 0.00 +0.044 C ATOM 21 C LIG 1 6.330 -2.587 -0.003 0.00 0.00 +0.092 C ATOM 22 C LIG 1 5.331 -2.450 1.161 0.00 0.00 +0.044 C ATOM 23 C LIG 1 5.372 -1.071 1.820 0.00 0.00 +0.110 C ATOM 24 O LIG 1 8.084 0.785 3.359 0.00 0.00 -0.276 OA ENDBRANCH 7 21 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 O LIG 1 -1.544 1.814 -0.997 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 -2.915 1.374 -0.967 0.00 0.00 +0.261 C BRANCH 26 27 ATOM 27 C LIG 1 -3.696 2.276 -1.929 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 O LIG 1 -3.707 3.626 -1.445 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 -2.786 3.821 -1.186 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -5.134 1.779 -2.198 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 -5.888 1.292 -1.023 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -7.113 0.598 -1.482 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.053 0.198 -0.364 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -7.974 0.808 0.900 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -8.864 0.430 1.913 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -9.853 -0.522 1.661 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.947 -1.117 0.403 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.889 1.819 1.178 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -9.052 -0.758 -0.605 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -6.269 2.385 -0.111 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 8