REMARK Name = BDB024351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.517 -1.723 0.524 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.274 -3.208 0.732 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -0.679 -4.003 -0.253 0.00 0.00 +0.129 A ATOM 4 F LIG 1 -0.300 -3.460 -1.418 0.00 0.00 -0.205 F ATOM 5 C LIG 1 -0.459 -5.363 -0.055 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -0.848 -5.960 1.142 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -1.462 -5.192 2.131 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.679 -3.827 1.927 0.00 0.00 +0.008 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.836 -1.084 0.786 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.772 -1.718 1.569 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.268 -0.981 -0.051 0.00 0.00 +0.240 C ATOM 12 O LIG 1 -0.325 -0.363 -1.113 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 4.555 0.741 0.265 0.00 0.00 +0.003 A ATOM 14 C LIG 1 3.464 0.992 -0.559 0.00 0.00 +0.121 A ATOM 15 N LIG 1 2.244 0.418 -0.418 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.071 -0.460 0.581 0.00 0.00 +0.125 A ATOM 17 C LIG 1 3.099 -0.770 1.467 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.348 -0.165 1.306 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 8.437 3.050 -1.801 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.551 2.403 -0.864 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.944 2.234 0.410 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.905 1.615 0.977 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.841 1.384 0.072 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.303 1.911 -1.118 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.705 -1.529 -0.340 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.363 -1.582 -1.306 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.314 -0.208 -0.138 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.442 0.018 -1.153 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.099 1.366 -0.967 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -6.277 1.486 -0.219 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.873 2.736 -0.034 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.293 3.880 -0.593 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.114 3.767 -1.336 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.520 2.517 -1.520 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.904 5.162 -0.402 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.400 6.200 -0.244 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9