REMARK  Name = BDB012334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.888   1.701  -0.435  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -1.615   2.242  -0.234  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -1.780   3.613  -0.237  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -3.148   3.823  -0.448  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -3.829   2.687  -0.571  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.962  -1.353  -0.786  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -4.600  -0.005  -0.723  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -3.264   0.316  -0.498  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -2.313  -0.642  -0.335  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -2.692  -1.935  -0.404  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -3.992  -2.340  -0.625  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -7.290  -0.892  -1.179  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -6.384  -1.688  -1.027  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.605  -3.014  -1.065  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.569  -3.084  -1.229  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.539   1.460  -0.089  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.698   2.110   0.198  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.802   1.096   0.391  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        1.543  -0.199   0.851  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.590  -1.106   1.056  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.932  -0.761   0.824  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        4.173   0.549   0.375  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.133   1.463   0.166  0.00  0.00    +0.007 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.027  -1.785   1.063  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        6.375  -1.378   1.609  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        6.254  -1.841   0.185  0.00  0.00    +0.009 C 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7