REMARK Name = BDB022304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.383 1.270 1.350 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -0.151 -0.019 0.830 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.590 -1.210 0.989 0.00 0.00 +0.054 A ATOM 4 C LIG 1 0.012 -2.416 0.562 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.235 -2.449 -0.071 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.949 -1.280 -0.299 0.00 0.00 +0.032 A ATOM 7 N LIG 1 1.907 -1.158 1.556 0.00 0.00 -0.308 N ATOM 8 C LIG 1 2.420 0.033 2.053 0.00 0.00 +0.254 A ATOM 9 O LIG 1 3.502 0.143 2.628 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -1.391 -0.077 0.153 0.00 0.00 +0.035 A ATOM 11 C LIG 1 1.608 1.252 1.889 0.00 0.00 +0.093 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 -0.411 2.404 1.263 0.00 0.00 -0.334 N ATOM 13 H LIG 1 -1.415 2.238 1.218 0.00 0.00 +0.147 HD BRANCH 12 15 ATOM 14 C LIG 1 -0.344 3.750 3.327 0.00 0.00 +0.036 C ATOM 15 C LIG 1 -0.155 3.747 1.810 0.00 0.00 +0.135 C BRANCH 15 16 ATOM 16 C LIG 1 -1.129 4.760 1.196 0.00 0.00 +0.149 A ATOM 17 N LIG 1 -2.400 4.347 0.958 0.00 0.00 -0.238 NA ATOM 18 C LIG 1 -3.240 5.265 0.444 0.00 0.00 +0.114 A ATOM 19 C LIG 1 -2.872 6.560 0.167 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -1.567 6.883 0.452 0.00 0.00 +0.114 A ATOM 21 N LIG 1 -0.680 6.012 0.969 0.00 0.00 -0.238 NA ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 6 22 ATOM 22 N LIG 1 -3.169 -1.246 -0.999 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -3.749 -0.448 -0.746 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.708 -2.098 -1.991 0.00 0.00 +0.053 A ATOM 25 C LIG 1 -5.100 -2.243 -2.149 0.00 0.00 +0.110 A ATOM 26 C LIG 1 -5.561 -3.133 -3.111 0.00 0.00 +0.148 A ATOM 27 CL LIG 1 -7.235 -3.409 -3.414 0.00 0.00 -0.061 Cl ATOM 28 N LIG 1 -4.763 -3.876 -3.910 0.00 0.00 -0.242 NA ATOM 29 C LIG 1 -3.437 -3.724 -3.745 0.00 0.00 +0.114 A ATOM 30 C LIG 1 -2.875 -2.868 -2.813 0.00 0.00 +0.044 A BRANCH 25 31 ATOM 31 C LIG 1 -6.015 -1.496 -1.347 0.00 0.00 +0.104 C ATOM 32 N LIG 1 -6.715 -0.849 -0.684 0.00 0.00 -0.191 NA ENDBRANCH 25 31 ENDBRANCH 22 24 ENDBRANCH 6 22 BRANCH 7 33 ATOM 33 C LIG 1 2.733 -2.354 1.718 0.00 0.00 +0.129 C BRANCH 33 34 ATOM 34 C LIG 1 3.758 -2.704 0.602 0.00 0.00 +0.009 C ATOM 35 C LIG 1 4.904 -1.693 0.420 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.614 -0.564 -0.566 0.00 0.00 +0.000 C ATOM 37 C LIG 1 4.109 -1.093 -1.901 0.00 0.00 +0.000 C ATOM 38 C LIG 1 2.882 -1.975 -1.712 0.00 0.00 +0.000 C ATOM 39 C LIG 1 3.163 -3.126 -0.751 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 8