REMARK Name = BDB022479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.715 -1.649 0.031 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -2.472 -0.950 0.991 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -3.882 -1.015 1.058 0.00 0.00 -0.032 A ATOM 4 C LIG 1 -4.519 -1.839 0.117 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -3.796 -2.544 -0.846 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.407 -2.447 -0.889 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 2.525 -1.380 0.011 0.00 0.00 +0.125 A ATOM 8 N LIG 1 1.889 -1.628 1.174 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 0.534 -1.705 1.140 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -0.248 -1.549 -0.003 0.00 0.00 +0.000 A ATOM 11 C LIG 1 0.451 -1.293 -1.186 0.00 0.00 +0.013 A ATOM 12 C LIG 1 1.846 -1.207 -1.184 0.00 0.00 +0.044 A BRANCH 7 15 ATOM 13 O LIG 1 4.643 -0.917 -2.018 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 4.850 -1.094 -0.825 0.00 0.00 +0.242 C ATOM 15 N LIG 1 3.912 -1.316 0.149 0.00 0.00 -0.267 N ATOM 16 H LIG 1 4.194 -1.458 1.108 0.00 0.00 +0.157 HD BRANCH 14 17 ATOM 17 C LIG 1 6.233 -1.091 -0.269 0.00 0.00 +0.064 C ATOM 18 C LIG 1 7.289 -0.843 -1.061 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 8.711 -0.827 -0.588 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 9.362 0.445 -0.891 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 10.798 0.406 -0.612 0.00 0.00 +0.085 C ATOM 22 C LIG 1 11.193 1.874 -0.647 0.00 0.00 +0.017 C ATOM 23 C LIG 1 9.923 2.635 -0.280 0.00 0.00 +0.017 C ATOM 24 C LIG 1 8.856 1.565 -0.095 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 14 17 ENDBRANCH 7 15 ENDBRANCH 1 10 BRANCH 3 25 ATOM 25 C LIG 1 -4.642 -0.222 2.137 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -5.964 -0.719 2.720 0.00 0.00 +0.022 C ATOM 27 C LIG 1 -4.716 -0.954 3.495 0.00 0.00 +0.022 C BRANCH 25 28 ATOM 28 C LIG 1 -4.310 1.252 2.237 0.00 0.00 +0.229 C ATOM 29 N LIG 1 -4.972 2.206 1.520 0.00 0.00 -0.268 N ATOM 30 H LIG 1 -4.638 3.146 1.679 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 -3.400 1.599 2.993 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 C LIG 1 -5.983 2.161 0.600 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -6.373 3.328 0.074 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 -7.348 3.002 -0.788 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -7.796 3.741 -1.321 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 -7.607 1.669 -0.816 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -6.732 1.092 0.070 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 -8.652 0.952 -1.695 0.00 0.00 +0.037 C ATOM 39 C LIG 1 -9.674 0.064 -1.036 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -10.092 1.385 -1.613 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 25 28 ENDBRANCH 3 25 TORSDOF 9