REMARK  Name = BDB043207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.384   2.267  -0.075  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -1.292   1.306   0.135  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.894   0.032   0.099  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.376  -0.341  -0.101  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        1.297   0.613  -0.295  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.940   1.947  -0.305  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.644   0.259  -0.533  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        2.822  -1.181  -0.822  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        4.303  -1.489  -1.147  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.280  -1.040  -0.128  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        5.223  -1.870   1.074  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        5.026   0.385   0.180  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.559   0.747   0.520  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -0.753   3.632  -0.109  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -0.039   4.207   0.317  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -4.457   6.908   0.022  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -3.586   5.724  -0.124  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -4.048   4.524  -0.586  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -4.989   4.284  -0.878  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -3.108   3.575  -0.656  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -1.994   4.163  -0.212  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -2.246   5.519   0.122  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1       -1.919  -0.890   0.301  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1       -2.784  -0.369   0.356  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.000  -2.284   0.271  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -0.904  -3.124   0.047  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -1.040  -4.518   0.059  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -2.283  -5.094   0.319  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1       -3.396  -4.278   0.534  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1       -3.246  -2.887   0.517  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -2.392  -6.569   0.334  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -1.818  -7.292  -0.461  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.156  -7.027   1.349  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -3.403  -6.348   2.004  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 7