REMARK  Name = BDB054312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.371   2.346   2.061  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.202   1.758   1.015  0.00  0.00    +0.266 C 
ATOM      3  N   LIG    1       -2.107   1.504   0.004  0.00  0.00    -0.287 N 
ATOM      4  C   LIG    1       -1.595   0.681  -1.075  0.00  0.00    +0.151 C 
ATOM      5  C   LIG    1       -0.165   0.480  -0.733  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        0.879  -0.129  -1.313  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1        2.130  -0.097  -0.646  0.00  0.00    -0.181 N 
ATOM      8  C   LIG    1        2.266   0.557   0.594  0.00  0.00    +0.161 A 
ATOM      9  C   LIG    1        3.581   0.401   0.963  0.00  0.00    +0.081 A 
ATOM     10  C   LIG    1        4.176  -0.340  -0.074  0.00  0.00    +0.130 A 
ATOM     11  N   LIG    1        1.224   1.192   1.217  0.00  0.00    -0.223 NA
ATOM     12  N   LIG    1        3.309  -0.641  -1.044  0.00  0.00    -0.159 NA
ATOM     13  C   LIG    1        0.104   1.137   0.569  0.00  0.00    +0.138 A 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        5.675  -0.788  -0.139  0.00  0.00    +0.155 A 
ATOM     15  O   LIG    1        6.224  -1.509  -1.164  0.00  0.00    -0.461 OA
ATOM     16  C   LIG    1        7.534  -1.704  -0.869  0.00  0.00    +0.196 A 
ATOM     17  C   LIG    1        7.848  -1.121   0.335  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        6.650  -0.529   0.807  0.00  0.00    +0.051 A 
ENDBRANCH  10  14
BRANCH   6  19
ATOM     19  O   LIG    1        0.786  -0.785  -2.530  0.00  0.00    -0.492 OA
ATOM     20  H   LIG    1       -0.125  -0.771  -2.861  0.00  0.00    +0.294 HD
ENDBRANCH   6  19
BRANCH   3  21
ATOM     21  C   LIG    1       -3.507   1.869   0.092  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.384   0.682   0.400  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.233   0.143  -0.578  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.027  -0.969  -0.290  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.979  -1.552   0.975  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.141  -1.025   1.954  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.347   0.086   1.669  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 4