REMARK Name = BDB026986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.679 0.684 -0.830 0.00 0.00 +0.186 C ATOM 2 O LIG 1 2.677 1.098 -1.434 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.367 1.301 -1.083 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -0.972 0.934 -0.697 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.834 1.909 -1.211 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.226 1.885 -1.027 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -3.789 0.831 -0.295 0.00 0.00 -0.013 A ATOM 8 C LIG 1 -2.955 -0.164 0.218 0.00 0.00 +0.009 A ATOM 9 N LIG 1 -1.067 2.823 -1.891 0.00 0.00 -0.360 N ATOM 10 H LIG 1 -1.429 3.635 -2.373 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -1.564 -0.125 0.024 0.00 0.00 +0.011 A ATOM 12 C LIG 1 0.247 2.466 -1.828 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 -5.228 0.780 -0.094 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -5.864 0.224 0.998 0.00 0.00 +0.117 A ATOM 15 N LIG 1 -7.203 0.404 0.799 0.00 0.00 -0.269 N ATOM 16 N LIG 1 -7.492 1.041 -0.350 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -6.291 1.271 -0.889 0.00 0.00 +0.142 A BRANCH 15 18 ATOM 18 C LIG 1 -8.274 -0.011 1.681 0.00 0.00 +0.171 C BRANCH 18 19 ATOM 19 C LIG 1 -9.133 -1.104 1.063 0.00 0.00 +0.179 C BRANCH 19 20 ATOM 20 O LIG 1 -10.064 -1.586 2.030 0.00 0.00 -0.393 OA ATOM 21 H LIG 1 -10.638 -2.226 1.573 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 22 ATOM 22 C LIG 1 1.823 -0.465 0.200 0.00 0.00 +0.156 C BRANCH 22 23 ATOM 23 C LIG 1 1.565 -1.843 -0.401 0.00 0.00 -0.023 A ATOM 24 C LIG 1 1.766 -2.129 -1.760 0.00 0.00 +0.005 A ATOM 25 C LIG 1 1.524 -3.410 -2.263 0.00 0.00 +0.000 A ATOM 26 C LIG 1 1.095 -4.428 -1.413 0.00 0.00 +0.000 A ATOM 27 C LIG 1 0.918 -4.170 -0.057 0.00 0.00 +0.000 A ATOM 28 C LIG 1 1.158 -2.890 0.447 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 3.185 -0.465 0.800 0.00 0.00 -0.303 NA ATOM 30 H LIG 1 3.847 -0.387 0.021 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 3.396 0.668 1.708 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 C LIG 1 4.817 0.662 2.297 0.00 0.00 +0.050 C BRANCH 32 36 ATOM 33 C LIG 1 7.884 1.350 -0.667 0.00 0.00 +0.052 A ATOM 34 C LIG 1 7.655 0.060 -0.179 0.00 0.00 +0.019 A ATOM 35 C LIG 1 6.668 -0.159 0.784 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.900 0.907 1.272 0.00 0.00 -0.046 A ATOM 37 C LIG 1 6.134 2.197 0.777 0.00 0.00 +0.005 A ATOM 38 C LIG 1 7.121 2.418 -0.187 0.00 0.00 +0.019 A BRANCH 33 40 ATOM 39 N LIG 1 9.719 1.761 -2.455 0.00 0.00 -0.191 NA ATOM 40 C LIG 1 8.896 1.576 -1.657 0.00 0.00 +0.099 C ENDBRANCH 33 40 ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 12