REMARK  Name = BDB011144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.190   0.341   0.294  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.185   1.068  -0.196  0.00  0.00    +0.221 A 
ATOM      3  C   LIG    1       -1.301   0.100   0.271  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.856  -1.123   0.666  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -3.240  -1.326   0.611  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.043  -0.270   0.138  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -5.417  -0.465   0.082  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.006  -1.669   0.479  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.208  -2.709   0.944  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.827  -2.540   1.010  0.00  0.00    +0.010 A 
ATOM     11  N   LIG    1       -3.526   0.904  -0.261  0.00  0.00    -0.213 NA
BRANCH   2  13
ATOM     12  C   LIG    1       -2.612   3.195  -1.090  0.00  0.00    +0.279 C 
ATOM     13  O   LIG    1       -1.639   2.263  -0.627  0.00  0.00    -0.479 OA
ENDBRANCH   2  13
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  O   LIG    1        0.772  -0.366   1.400  0.00  0.00    -0.386 OA
ATOM     15  H   LIG    1        0.319  -0.050   2.201  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.845  -0.122  -1.019  0.00  0.00    +0.125 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.246   0.328  -1.117  0.00  0.00    -0.097 C 
ATOM     18  C   LIG    1        3.394   0.679  -1.180  0.00  0.00    -0.074 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.799   1.092  -1.224  0.00  0.00    +0.248 C 
BRANCH  19  20
ATOM     20  O   LIG    1        5.630   0.128  -0.567  0.00  0.00    -0.356 OA
BRANCH  20  21
ATOM     21  C   LIG    1        5.572   0.260   0.864  0.00  0.00    +0.281 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.454  -0.815   1.480  0.00  0.00    +0.331 C 
ATOM     23  O   LIG    1        6.688  -0.920   2.674  0.00  0.00    -0.248 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.962  -1.659   0.546  0.00  0.00    -0.479 OA
ATOM     25  H   LIG    1        6.629  -1.360  -0.333  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10