REMARK  Name = BDB033028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.039  -1.188   1.205  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.958  -0.962  -0.001  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        2.247  -0.701   0.597  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        2.155  -0.371   1.935  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        3.076  -0.072   2.677  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.700  -0.376   2.320  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.086  -1.379  -0.019  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.350  -0.809   1.005  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.882  -0.519   1.818  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.598  -2.037  -0.928  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -5.814   1.946  -0.062  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.341   0.525   0.032  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -3.973   0.229  -0.007  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.538  -1.104   0.041  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -4.466  -2.143   0.120  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -5.830  -1.856   0.144  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.264  -0.527   0.094  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -4.045  -3.438   0.213  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -4.795  -4.033   0.048  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.486  -0.716  -0.160  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.966   0.631  -0.668  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.278   0.804  -1.164  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1        5.744   2.047  -1.625  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.893   3.148  -1.611  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.591   3.005  -1.139  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.134   1.765  -0.675  0.00  0.00    +0.007 A 
BRANCH  22  27
ATOM     27  N   LIG    1        6.218  -0.313  -1.226  0.00  0.00    +0.057 N 
ATOM     28  O   LIG    1        7.372  -0.107  -0.824  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        5.808  -1.381  -1.700  0.00  0.00    -0.126 OA
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6