REMARK Name = BDB024281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.403 -1.792 0.770 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.073 -3.250 1.065 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.418 -3.807 2.307 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.119 -5.140 2.596 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.480 -5.934 1.647 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.149 -5.401 0.403 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.449 -4.070 0.110 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.868 -0.901 0.938 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.829 -1.379 1.827 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.209 -1.065 0.078 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.272 -0.712 -1.098 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.450 1.078 0.115 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.370 1.067 -0.761 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.193 0.435 -0.524 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.058 -0.234 0.630 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.077 -0.274 1.576 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.281 0.386 1.314 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.203 3.242 -2.316 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.341 2.723 -1.282 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.707 2.841 0.006 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.703 2.264 0.670 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.688 1.773 -0.185 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.143 2.090 -1.449 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 -1.716 -0.051 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.348 -1.897 -1.018 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.249 -0.386 0.008 0.00 0.00 +0.087 C BRANCH 26 27 ATOM 27 C LIG 1 -4.526 -0.359 -0.844 0.00 0.00 +0.056 C BRANCH 27 28 ATOM 28 C LIG 1 -5.180 0.997 -0.831 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -5.980 1.399 0.239 0.00 0.00 +0.131 A ATOM 30 F LIG 1 -6.180 0.567 1.271 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -6.580 2.656 0.271 0.00 0.00 +0.057 A ATOM 32 C LIG 1 -6.377 3.545 -0.786 0.00 0.00 +0.057 A ATOM 33 C LIG 1 -5.573 3.166 -1.863 0.00 0.00 +0.057 A ATOM 34 C LIG 1 -4.984 1.903 -1.874 0.00 0.00 +0.131 A ATOM 35 F LIG 1 -4.213 1.566 -2.916 0.00 0.00 -0.205 F BRANCH 32 36 ATOM 36 C LIG 1 -6.987 4.841 -0.764 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -7.482 5.890 -0.743 0.00 0.00 -0.191 NA ENDBRANCH 32 36 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9