REMARK  Name = BDB021625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.813   2.083  -1.100  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.842   1.052  -0.422  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.664   0.437  -0.009  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.626  -0.693   0.902  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        1.458  -0.401   2.135  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.784  -0.874   1.977  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.548  -0.358   0.971  0.00  0.00    +0.134 A 
ATOM      8  C   LIG    1        4.883  -0.798   1.088  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        5.867  -0.406   0.183  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        5.529   0.436  -0.864  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        4.208   0.874  -0.995  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        3.190   0.487  -0.088  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        7.212  -0.867   0.333  0.00  0.00    -0.064 C 
ATOM     14  C   LIG    1        8.344  -1.251   0.456  0.00  0.00    -0.069 C 
BRANCH  14  15
ATOM     15  C   LIG    1        9.722  -1.714   0.607  0.00  0.00    +0.244 C 
BRANCH  15  16
ATOM     16  O   LIG    1       10.625  -0.680   0.242  0.00  0.00    -0.383 OA
ATOM     17  H   LIG    1       10.344   0.118   0.722  0.00  0.00    +0.211 HD
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   9  13
BRANCH   3  18
ATOM     18  C   LIG    1       -0.597   0.822  -0.664  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.113  -0.239  -1.658  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.109  -0.489  -2.654  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.450  -1.165  -3.263  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.423   0.188  -2.366  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.621   0.405  -1.560  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.949  -0.643  -0.600  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.297  -0.406   0.039  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.615   0.900   0.449  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.824   1.155   1.101  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.724   0.113   1.326  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.413  -1.184   0.916  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.588   1.974   0.215  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.199  -1.447   0.279  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.840   1.786  -1.121  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8