REMARK  Name = BDB004745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.836   0.563   0.031  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1        1.894   0.009  -0.737  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        3.109   0.727  -0.715  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1        4.197   0.223  -1.461  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.081  -0.951  -2.228  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.888  -1.650  -2.264  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1        3.222   1.870  -0.003  0.00  0.00    -0.234 NA
ATOM      8  C   LIG    1        2.157   2.299   0.680  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.814  -1.186  -1.512  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1        0.974   1.699   0.735  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.541   0.884  -1.512  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.444   0.448  -2.218  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.753   1.993  -0.749  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.996   2.404  -0.209  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.640   2.471  -0.817  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.382  -0.133   0.151  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.620  -0.513  -0.767  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.525   0.588   0.741  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.804  -0.043   0.189  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -3.072  -1.414   0.343  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.237  -1.977  -0.180  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.150  -1.179  -0.866  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.899   0.182  -1.028  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.734   0.747  -0.506  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.473   0.523   2.302  0.00  0.00    +0.107 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -2.354   2.708   2.905  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -2.523   1.267   3.032  0.00  0.00    -0.317 NA
ATOM     28  H   LIG    1       -2.463   1.015   4.018  0.00  0.00    +0.122 HD
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   9  29
ATOM     29  O   LIG    1        0.623  -1.867  -1.626  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1        0.668  -3.090  -0.885  0.00  0.00    +0.277 C 
ENDBRANCH   9  29
TORSDOF 7