REMARK Name = BDB008106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.896 0.987 0.094 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.152 0.983 0.984 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.279 0.182 1.601 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.968 1.785 -0.841 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -2.018 -0.016 0.416 0.00 0.00 +0.163 C BRANCH 5 6 ATOM 6 N LIG 1 -2.707 -0.325 -0.838 0.00 0.00 -0.300 N ATOM 7 H LIG 1 -3.072 0.478 -1.337 0.00 0.00 +0.150 HD ATOM 8 C LIG 1 -2.264 -1.371 -1.622 0.00 0.00 +0.245 C ATOM 9 O LIG 1 -1.391 -2.155 -1.268 0.00 0.00 -0.270 OA BRANCH 8 10 ATOM 10 C LIG 1 -2.875 -1.480 -2.975 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -2.145 -2.110 -3.990 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -2.685 -2.230 -5.272 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.959 -1.732 -5.541 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -4.699 -1.118 -4.530 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.161 -0.994 -3.246 0.00 0.00 +0.013 A ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 16 ATOM 16 C LIG 1 -2.955 0.629 1.447 0.00 0.00 +0.067 C BRANCH 16 20 ATOM 17 C LIG 1 -5.943 -2.123 2.943 0.00 0.00 +0.121 A ATOM 18 C LIG 1 -6.261 -1.225 1.927 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -5.296 -0.331 1.447 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -4.000 -0.325 1.977 0.00 0.00 -0.045 A ATOM 21 C LIG 1 -3.683 -1.233 2.992 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -4.649 -2.122 3.468 0.00 0.00 +0.046 A BRANCH 17 23 ATOM 23 O LIG 1 -6.779 -3.049 3.503 0.00 0.00 -0.492 OA BRANCH 23 25 ATOM 24 C LIG 1 -8.310 -3.990 1.873 0.00 0.00 +0.048 C ATOM 25 C LIG 1 -8.142 -3.091 3.087 0.00 0.00 +0.225 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 16 20 ENDBRANCH 5 16 ENDBRANCH 1 5 BRANCH 2 26 ATOM 26 C LIG 1 1.344 1.804 0.762 0.00 0.00 +0.163 C BRANCH 26 27 ATOM 27 C LIG 1 2.492 1.144 1.554 0.00 0.00 +0.234 C ATOM 28 N LIG 1 3.749 1.621 1.273 0.00 0.00 -0.310 N ATOM 29 H LIG 1 3.870 2.250 0.487 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 2.277 0.251 2.376 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 4.943 1.017 1.816 0.00 0.00 +0.139 C BRANCH 31 32 ATOM 32 C LIG 1 5.584 0.110 0.798 0.00 0.00 -0.030 A ATOM 33 C LIG 1 5.114 -1.198 0.623 0.00 0.00 +0.005 A ATOM 34 C LIG 1 5.684 -2.037 -0.338 0.00 0.00 +0.005 A ATOM 35 C LIG 1 6.732 -1.581 -1.148 0.00 0.00 -0.034 A ATOM 36 C LIG 1 7.196 -0.269 -0.976 0.00 0.00 +0.005 A ATOM 37 C LIG 1 6.626 0.570 -0.016 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 7.345 -2.479 -2.192 0.00 0.00 +0.113 C BRANCH 38 39 ATOM 39 N LIG 1 8.754 -2.737 -1.915 0.00 0.00 -0.326 NA ATOM 40 H LIG 1 9.095 -3.443 -2.565 0.00 0.00 +0.119 HD ATOM 41 H LIG 1 8.831 -3.143 -0.983 0.00 0.00 +0.119 HD ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 26 27 BRANCH 26 42 ATOM 42 C LIG 1 1.107 3.256 1.214 0.00 0.00 +0.067 C BRANCH 42 43 ATOM 43 C LIG 1 2.079 4.244 0.610 0.00 0.00 -0.045 A ATOM 44 C LIG 1 3.041 4.879 1.407 0.00 0.00 +0.004 A ATOM 45 C LIG 1 3.952 5.769 0.837 0.00 0.00 +0.000 A ATOM 46 C LIG 1 3.907 6.036 -0.530 0.00 0.00 +0.000 A ATOM 47 C LIG 1 2.947 5.418 -1.329 0.00 0.00 +0.000 A ATOM 48 C LIG 1 2.035 4.528 -0.762 0.00 0.00 +0.004 A ENDBRANCH 42 43 ENDBRANCH 26 42 ENDBRANCH 2 26 TORSDOF 15