REMARK  Name = BDB054335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.190  -0.979   1.228  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.133  -0.250   1.013  0.00  0.00    +0.105 C 
BRANCH   2   3
ATOM      3  N   LIG    1        2.146  -1.173   0.517  0.00  0.00    -0.344 N 
ATOM      4  H   LIG    1        2.160  -2.057   1.023  0.00  0.00    +0.146 HD
BRANCH   3   8
ATOM      5  C   LIG    1        6.103   0.065  -0.342  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1        5.778  -1.280  -0.180  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        4.466  -1.664   0.116  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        3.449  -0.716   0.288  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        3.782   0.627   0.083  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        5.097   1.019  -0.215  0.00  0.00    +0.047 A 
BRANCH   5  12
ATOM     11  C   LIG    1        7.793   1.669  -0.804  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        7.417   0.310  -0.628  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
ENDBRANCH   3   8
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.795  -1.483  -0.082  0.00  0.00    +0.230 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -2.054  -2.115   0.165  0.00  0.00    -0.492 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.192  -1.358   0.145  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -3.265   0.029   0.006  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -4.508   0.691   0.009  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1       -5.697  -0.060   0.156  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -6.936   0.601   0.159  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -7.003   1.988   0.018  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.835   2.729  -0.127  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.612  -1.452   0.298  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.596   2.086  -0.132  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -4.370  -2.090   0.293  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 7