REMARK Name = BDB010544 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.401 2.064 0.885 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.401 0.674 0.885 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.090 0.003 1.883 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -2.031 -1.346 1.719 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.313 -1.539 0.638 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.751 0.603 2.886 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.669 1.940 2.826 0.00 0.00 +0.202 A ATOM 8 N LIG 1 -0.841 -0.339 0.134 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -2.043 2.688 1.899 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -1.300 3.915 -3.771 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -0.706 3.814 -2.397 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -1.308 3.006 -1.421 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -0.783 2.918 -0.120 0.00 0.00 +0.003 A ATOM 14 C LIG 1 0.333 3.706 0.201 0.00 0.00 +0.010 A ATOM 15 C LIG 1 0.930 4.524 -0.758 0.00 0.00 +0.001 A ATOM 16 C LIG 1 0.413 4.577 -2.051 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 5 17 ATOM 17 N LIG 1 -1.027 -2.737 0.051 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -0.906 -3.892 1.000 0.00 0.00 +0.099 C ATOM 19 C LIG 1 0.520 -4.441 0.923 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -1.948 -4.989 0.693 0.00 0.00 +0.182 C ATOM 21 O LIG 1 -1.876 -5.495 -0.647 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 -1.639 -4.473 -1.624 0.00 0.00 +0.179 C ATOM 23 C LIG 1 -1.894 -3.048 -1.119 0.00 0.00 +0.136 C ENDBRANCH 5 17 BRANCH 7 24 ATOM 24 C LIG 1 -3.361 2.659 3.920 0.00 0.00 +0.220 A ATOM 25 N LIG 1 -4.008 1.952 4.862 0.00 0.00 -0.269 N ATOM 26 H LIG 1 -4.087 0.950 4.924 0.00 0.00 +0.174 HD ATOM 27 C LIG 1 -4.536 2.836 5.718 0.00 0.00 +0.440 A ATOM 28 O LIG 1 -5.197 2.568 6.708 0.00 0.00 -0.221 OA ATOM 29 O LIG 1 -4.209 4.100 5.294 0.00 0.00 -0.295 OA ATOM 30 N LIG 1 -3.430 3.938 4.102 0.00 0.00 -0.051 NA ENDBRANCH 7 24 BRANCH 8 31 ATOM 31 C LIG 1 0.129 -0.191 -0.940 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.542 0.194 -0.457 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.400 0.727 -1.624 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.307 -0.347 -2.217 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.291 -0.914 -1.177 0.00 0.00 -0.014 C ATOM 36 C LIG 1 5.649 -0.214 -1.250 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.737 -0.847 0.257 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.220 -0.985 0.268 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 5