REMARK  Name = BDB032554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.738  -0.379   0.056  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        3.884   0.934   0.466  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.906   1.534   0.733  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.535   1.500   0.570  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.152   2.787   0.903  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        0.783   3.062   0.930  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -0.150   2.055   0.629  0.00  0.00    +0.162 A 
ATOM      8  O   LIG    1       -1.472   2.421   0.660  0.00  0.00    -0.485 OA
ATOM      9  C   LIG    1       -2.304   1.438   0.027  0.00  0.00    +0.276 C 
ATOM     10  C   LIG    1       -1.936   0.032   0.501  0.00  0.00    +0.236 C 
ATOM     11  O   LIG    1       -0.597  -0.273   0.056  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        0.267   0.751   0.325  0.00  0.00    +0.168 A 
ATOM     13  C   LIG    1        1.621   0.488   0.284  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        2.339  -0.784   0.000  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1        8.689  -0.297   1.046  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        7.550  -0.591   0.690  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        6.719  -1.288   1.527  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        7.088  -1.467   2.451  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        5.409  -1.644   1.329  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        4.744  -2.126   2.246  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        4.812  -1.360  -0.050  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1        5.863  -1.072  -1.119  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        7.002  -0.183  -0.654  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH  10  24
ATOM     24  C   LIG    1       -2.886  -1.023  -0.088  0.00  0.00    +0.208 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.770  -1.593   0.884  0.00  0.00    -0.371 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.819  -0.739   1.341  0.00  0.00    +0.195 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.870  -0.486   0.288  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1       -6.374  -1.541  -0.486  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -7.358  -1.309  -1.447  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.856  -0.022  -1.638  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.374   1.033  -0.865  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.390   0.802   0.097  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 5