REMARK Name = BDB024229 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.121 -2.103 0.611 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.472 -2.437 -0.834 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.033 -3.690 -1.131 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.372 -4.028 -2.443 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.165 -3.115 -3.474 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.627 -1.861 -3.194 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.289 -1.520 -1.883 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.228 -1.592 0.102 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.153 -2.391 -0.517 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.119 -1.179 0.808 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.092 -0.224 1.586 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.083 -0.089 -0.179 0.00 0.00 +0.084 A ATOM 13 C LIG 1 4.614 -1.201 -0.865 0.00 0.00 +0.140 A ATOM 14 N LIG 1 3.346 -1.676 -0.758 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.500 -1.025 0.066 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.884 0.094 0.792 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.193 0.569 0.668 0.00 0.00 +0.032 A BRANCH 12 21 ATOM 18 C LIG 1 9.437 2.380 0.101 0.00 0.00 +0.047 C ATOM 19 C LIG 1 8.355 1.429 -0.234 0.00 0.00 -0.013 A ATOM 20 C LIG 1 7.060 1.405 0.238 0.00 0.00 +0.118 A ATOM 21 N LIG 1 6.422 0.334 -0.353 0.00 0.00 -0.238 N ATOM 22 N LIG 1 7.259 -0.333 -1.187 0.00 0.00 -0.175 NA ATOM 23 C LIG 1 8.414 0.328 -1.109 0.00 0.00 +0.138 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.280 -1.628 1.413 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.897 -1.325 2.313 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.983 -0.479 0.821 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.025 0.123 1.797 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -5.119 -0.883 2.177 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.626 1.399 1.220 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.438 1.377 0.074 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.972 2.559 -0.444 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.701 3.782 0.174 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.892 3.817 1.313 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.358 2.633 1.831 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.247 4.996 -0.358 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.689 5.979 -0.789 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9