REMARK Name = BDB052346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.906 -4.192 -1.110 0.00 0.00 -0.271 N ATOM 2 N LIG 1 -0.388 -3.921 -1.339 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 -0.627 -2.793 -0.647 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.550 -2.368 0.047 0.00 0.00 +0.028 A ATOM 5 C LIG 1 1.512 -3.303 -0.276 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 0.778 -1.283 0.974 0.00 0.00 -0.002 A ATOM 7 C LIG 1 1.815 -0.356 0.749 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.963 0.657 1.688 0.00 0.00 +0.139 A ATOM 9 N LIG 1 3.011 1.445 1.302 0.00 0.00 -0.339 N ATOM 10 H LIG 1 3.300 2.267 1.809 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 3.566 0.976 0.131 0.00 0.00 +0.049 A ATOM 12 N LIG 1 1.227 0.868 2.794 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 0.246 -0.049 2.958 0.00 0.00 +0.114 A ATOM 14 C LIG 1 2.817 -0.132 -0.239 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -0.020 -1.113 2.109 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 4.707 1.615 -0.525 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.784 2.114 0.225 0.00 0.00 +0.033 A ATOM 18 C LIG 1 6.887 2.718 -0.398 0.00 0.00 +0.034 A ATOM 19 C LIG 1 6.899 2.827 -1.789 0.00 0.00 +0.023 A ATOM 20 C LIG 1 5.834 2.331 -2.546 0.00 0.00 +0.002 A ATOM 21 C LIG 1 4.746 1.725 -1.918 0.00 0.00 +0.010 A BRANCH 18 22 ATOM 22 N LIG 1 7.926 3.180 0.437 0.00 0.00 -0.286 N ATOM 23 H LIG 1 7.791 3.038 1.430 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 9.119 3.767 0.052 0.00 0.00 +0.214 C ATOM 25 O LIG 1 9.505 3.970 -1.094 0.00 0.00 -0.276 OA ATOM 26 C LIG 1 9.989 4.137 1.229 0.00 0.00 +0.109 C ENDBRANCH 18 22 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 27 ATOM 27 C LIG 1 -1.954 -2.175 -0.668 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -2.106 -0.787 -0.753 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -3.382 -0.212 -0.759 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -4.527 -1.013 -0.687 0.00 0.00 +0.035 A ATOM 31 C LIG 1 -4.378 -2.397 -0.602 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -3.102 -2.973 -0.601 0.00 0.00 +0.012 A BRANCH 30 33 ATOM 33 N LIG 1 -5.774 -0.358 -0.674 0.00 0.00 -0.269 N ATOM 34 H LIG 1 -5.757 0.644 -0.790 0.00 0.00 +0.156 HD ATOM 35 C LIG 1 -7.017 -0.918 -0.787 0.00 0.00 +0.308 C ATOM 36 N LIG 1 -8.078 -0.065 -0.625 0.00 0.00 -0.269 N ATOM 37 H LIG 1 -8.932 -0.474 -0.986 0.00 0.00 +0.156 HD ATOM 38 O LIG 1 -7.258 -2.084 -1.088 0.00 0.00 -0.252 OA BRANCH 36 39 ATOM 39 C LIG 1 -8.203 1.168 0.040 0.00 0.00 +0.035 A ATOM 40 C LIG 1 -9.367 1.906 -0.205 0.00 0.00 +0.023 A ATOM 41 C LIG 1 -9.581 3.133 0.428 0.00 0.00 +0.002 A ATOM 42 C LIG 1 -8.637 3.626 1.325 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -7.490 2.885 1.598 0.00 0.00 +0.002 A ATOM 44 C LIG 1 -7.277 1.657 0.966 0.00 0.00 +0.023 A ENDBRANCH 36 39 ENDBRANCH 30 33 ENDBRANCH 3 27 BRANCH 1 46 ATOM 45 C LIG 1 1.305 -6.615 -0.907 0.00 0.00 +0.029 C ATOM 46 C LIG 1 1.516 -5.354 -1.726 0.00 0.00 +0.140 C ENDBRANCH 1 46 TORSDOF 7