REMARK Name = BDB048573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.722 -4.073 1.906 0.00 0.00 -0.001 C ATOM 2 C LIG 1 -4.124 -3.688 1.544 0.00 0.00 +0.187 C ATOM 3 O LIG 1 -4.157 -3.226 0.197 0.00 0.00 -0.371 OA ATOM 4 C LIG 1 -5.448 -2.769 -0.197 0.00 0.00 +0.195 C ATOM 5 C LIG 1 -5.714 -1.365 0.288 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -4.954 -0.288 -0.203 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -5.183 1.034 0.219 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -6.187 1.244 1.181 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -6.944 0.183 1.684 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.409 2.156 -0.349 0.00 0.00 +0.076 A ATOM 11 N LIG 1 -3.093 1.931 -0.563 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -2.362 2.918 -1.103 0.00 0.00 +0.220 A ATOM 13 N LIG 1 -2.875 4.107 -1.460 0.00 0.00 -0.223 NA ATOM 14 C LIG 1 -4.183 4.305 -1.234 0.00 0.00 +0.116 A ATOM 15 N LIG 1 -1.009 2.770 -1.389 0.00 0.00 -0.284 N ATOM 16 H LIG 1 -0.685 3.611 -1.845 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -0.025 1.867 -0.979 0.00 0.00 +0.034 A ATOM 18 C LIG 1 1.202 1.871 -1.655 0.00 0.00 +0.027 A ATOM 19 C LIG 1 2.223 0.973 -1.328 0.00 0.00 +0.048 A ATOM 20 C LIG 1 2.036 0.030 -0.318 0.00 0.00 +0.126 A ATOM 21 C LIG 1 0.804 -0.015 0.361 0.00 0.00 +0.021 A ATOM 22 C LIG 1 0.608 -1.022 1.479 0.00 0.00 +0.199 C ATOM 23 O LIG 1 -0.740 -1.140 1.937 0.00 0.00 -0.371 OA ATOM 24 C LIG 1 -1.547 -1.972 1.102 0.00 0.00 +0.187 C ATOM 25 C LIG 1 -0.209 0.908 0.019 0.00 0.00 +0.032 A ATOM 26 C LIG 1 -5.003 3.359 -0.676 0.00 0.00 +0.048 A ATOM 27 C LIG 1 -6.714 -1.115 1.234 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -1.610 -3.343 1.706 0.00 0.00 -0.001 C ENDROOT BRANCH 20 29 ATOM 29 O LIG 1 2.973 -0.879 0.094 0.00 0.00 -0.490 OA BRANCH 29 30 ATOM 30 C LIG 1 4.237 -0.939 -0.575 0.00 0.00 +0.244 C BRANCH 30 31 ATOM 31 C LIG 1 5.227 0.067 0.035 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 N LIG 1 6.568 -0.009 -0.556 0.00 0.00 -0.299 NA ATOM 33 C LIG 1 7.526 0.835 0.162 0.00 0.00 +0.084 C ATOM 34 C LIG 1 8.709 0.890 -0.790 0.00 0.00 +0.017 C ATOM 35 C LIG 1 8.107 0.702 -2.177 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.623 0.461 -1.942 0.00 0.00 +0.084 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 20 29 TORSDOF 4