REMARK  Name = BDB005619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.074   0.290  -0.004  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.333   0.226  -1.190  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.065   0.153  -1.153  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -1.772   0.141   0.062  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.258   0.087  -0.002  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -3.995   0.121   1.176  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.465   0.512   1.958  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.413   0.435   1.170  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.078  -0.321   0.024  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.383  -0.018  -1.309  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.881   0.027  -1.196  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.114   0.025  -2.469  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -3.670  -0.025  -3.562  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.010   0.179   1.246  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1       -1.756   0.093  -2.368  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -1.250   0.093  -3.243  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        0.388   0.278   1.214  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1       -1.613   0.185   2.484  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1       -1.547  -1.124   3.059  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
BRANCH   1  20
ATOM     20  C   LIG    1        2.585   0.404  -0.041  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.218  -0.663  -0.833  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        3.156  -1.951  -0.141  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1        4.597  -0.316  -1.233  0.00  0.00    +0.112 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.649  -0.089  -0.125  0.00  0.00    +0.174 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.839   2.279   0.024  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1        5.412   1.082   0.659  0.00  0.00    -0.382 OA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6