REMARK Name = BDB024954 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.821 -0.922 0.682 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.881 -0.110 0.021 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.359 1.096 -0.687 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.782 0.758 -2.123 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.348 2.236 -0.620 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.030 1.815 -1.226 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.569 0.499 -0.668 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.200 0.156 -0.766 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.174 0.882 -1.313 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.918 0.150 -1.179 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.633 -1.035 -0.526 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.730 -1.052 -0.274 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.585 -1.979 0.317 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.945 -1.642 0.400 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.468 -0.426 -0.072 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.585 -1.902 1.379 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.545 -2.116 -0.157 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.689 -1.697 0.791 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -4.067 -2.148 0.294 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.097 -3.636 -0.062 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.922 -4.082 -0.937 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.005 -2.940 -1.369 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -5.182 -1.788 1.259 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -6.131 -1.084 0.943 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.071 -2.327 2.490 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.288 -2.887 2.636 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.107 -1.282 1.130 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.107 -0.497 0.479 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.268 0.612 -1.647 0.00 0.00 +0.127 C BRANCH 29 30 ATOM 30 C LIG 1 -2.872 1.619 -0.721 0.00 0.00 +0.024 A ATOM 31 N LIG 1 -2.123 2.647 -0.193 0.00 0.00 -0.358 N ATOM 32 H LIG 1 -1.134 2.780 -0.371 0.00 0.00 +0.166 HD ATOM 33 C LIG 1 -2.891 3.422 0.643 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -4.178 2.885 0.632 0.00 0.00 -0.000 A ATOM 35 C LIG 1 -5.174 3.495 1.417 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -4.849 4.621 2.183 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -3.554 5.136 2.174 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -2.548 4.546 1.403 0.00 0.00 +0.026 A ATOM 39 C LIG 1 -4.157 1.760 -0.238 0.00 0.00 +0.031 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6