REMARK Name = BDB024430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.845 -0.133 -0.032 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.147 1.357 0.046 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.005 2.067 1.249 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.279 3.435 1.303 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.706 4.107 0.160 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.867 3.412 -1.037 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.592 2.045 -1.095 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.583 0.210 -0.093 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.321 0.960 -0.717 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.437 -0.479 0.545 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.314 -1.298 1.455 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.683 -0.208 0.576 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.729 -1.032 1.163 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.392 -0.924 0.967 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.951 0.050 0.157 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.825 0.922 -0.483 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.200 0.792 -0.269 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.633 -0.128 0.164 0.00 0.00 +0.172 C ATOM 19 N LIG 1 8.288 -0.341 0.639 0.00 0.00 -0.274 N ATOM 20 N LIG 1 8.092 -0.977 1.806 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.763 -1.005 1.929 0.00 0.00 +0.143 A ATOM 22 C LIG 1 6.098 -0.385 0.843 0.00 0.00 +0.021 A ATOM 23 C LIG 1 7.127 0.034 0.024 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.906 -0.886 0.682 0.00 0.00 -0.300 NA ATOM 25 H LIG 1 -2.570 -0.994 1.647 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.116 -2.238 0.138 0.00 0.00 +0.105 C BRANCH 26 27 ATOM 27 C LIG 1 -3.992 -2.271 -1.120 0.00 0.00 +0.158 C BRANCH 27 28 ATOM 28 N LIG 1 -5.394 -2.010 -0.846 0.00 0.00 -0.269 N ATOM 29 N LIG 1 -6.272 -3.035 -0.816 0.00 0.00 -0.178 NA ATOM 30 C LIG 1 -7.445 -2.439 -0.576 0.00 0.00 +0.153 A ATOM 31 C LIG 1 -7.322 -1.043 -0.477 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -5.984 -0.790 -0.667 0.00 0.00 +0.127 A BRANCH 31 33 ATOM 33 C LIG 1 -8.349 -0.088 -0.235 0.00 0.00 +0.102 C ATOM 34 N LIG 1 -9.193 0.686 -0.046 0.00 0.00 -0.191 NA ENDBRANCH 31 33 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9