REMARK Name = BDB024280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.578 -1.137 -0.133 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.570 -2.644 0.079 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.928 -3.183 1.326 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.924 -4.563 1.531 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.565 -5.422 0.494 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.213 -4.903 -0.750 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.217 -3.523 -0.959 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.771 -0.608 0.331 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.517 -0.966 1.239 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.187 -0.664 -0.673 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.017 -0.415 -1.865 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.736 0.644 -0.058 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.817 0.700 -1.099 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.523 0.303 -1.006 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -2.095 -0.188 0.166 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.939 -0.285 1.268 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -4.268 0.132 1.153 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 -8.823 2.962 -1.669 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -7.907 2.124 -0.934 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -8.365 1.379 0.086 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -7.274 0.747 0.526 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -6.111 1.083 -0.208 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -6.566 1.984 -1.149 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 2.633 -0.661 -1.053 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.375 -0.954 -1.998 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 4.001 -1.071 -0.741 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 4.596 -0.453 0.538 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 4.989 1.001 0.398 0.00 0.00 -0.043 A ATOM 29 C LIG 1 6.341 1.368 0.357 0.00 0.00 +0.043 A ATOM 30 C LIG 1 6.702 2.708 0.229 0.00 0.00 +0.141 A ATOM 31 F LIG 1 8.006 3.020 0.196 0.00 0.00 -0.204 F ATOM 32 C LIG 1 5.736 3.705 0.138 0.00 0.00 +0.087 A ATOM 33 C LIG 1 4.384 3.350 0.177 0.00 0.00 +0.022 A ATOM 34 C LIG 1 4.016 2.007 0.308 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 6.121 5.075 0.009 0.00 0.00 +0.102 C ATOM 36 N LIG 1 6.404 6.197 -0.092 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9