REMARK Name = BDB010826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.950 0.021 1.208 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.667 0.518 1.438 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.283 0.846 2.730 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.991 1.318 2.779 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -1.411 1.316 1.532 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.067 0.725 3.812 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.284 0.262 3.500 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.438 0.843 0.674 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.751 -0.085 2.287 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.211 0.110 4.644 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.797 0.455 5.874 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.895 0.822 6.131 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.816 0.218 6.709 0.00 0.00 +0.440 A ATOM 14 O LIG 1 3.816 0.408 7.914 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.868 -0.280 5.980 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.426 -0.336 4.618 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -2.869 1.829 1.164 0.00 0.00 +0.054 C ATOM 18 C LIG 1 -3.916 1.705 2.268 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -3.974 0.792 1.088 0.00 0.00 +0.020 C BRANCH 17 20 ATOM 20 C LIG 1 -2.909 3.106 0.339 0.00 0.00 -0.034 A ATOM 21 C LIG 1 -3.405 3.136 -0.979 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -3.424 4.319 -1.724 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -2.947 5.492 -1.157 0.00 0.00 +0.123 A ATOM 24 F LIG 1 -2.963 6.625 -1.870 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -2.452 5.504 0.139 0.00 0.00 +0.038 A ATOM 26 C LIG 1 -2.436 4.319 0.878 0.00 0.00 +0.007 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 N LIG 1 2.418 -0.352 -0.050 0.00 0.00 -0.324 N ATOM 28 H LIG 1 1.706 -0.850 -0.567 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 4.837 0.055 -0.139 0.00 0.00 +0.028 C ATOM 30 C LIG 1 3.733 -1.006 -0.119 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 3.817 -1.825 -1.415 0.00 0.00 +0.009 C ATOM 32 C LIG 1 5.019 -2.802 -1.558 0.00 0.00 +0.005 C ATOM 33 C LIG 1 4.055 -3.770 -2.272 0.00 0.00 +0.001 C ATOM 34 C LIG 1 2.910 -3.086 -1.499 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 -0.531 0.821 -0.773 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 -1.492 -0.232 -1.356 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.211 -1.661 -0.856 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -1.541 -2.751 -1.879 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -2.745 -2.420 -2.764 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -4.053 -2.452 -1.967 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -2.559 -1.077 -3.495 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.482 -0.174 -2.887 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 8