REMARK  Name = BDB008664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.611   0.066  -2.488  0.00  0.00    +0.042 A 
ATOM      2  N   LIG    1        1.607  -0.314  -1.658  0.00  0.00    -0.257 NA
ATOM      3  C   LIG    1        1.277  -0.898  -0.484  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -0.046  -1.164  -0.132  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.084  -0.786  -0.990  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.731  -0.152  -2.191  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.143  -0.307  -4.904  0.00  0.00    +0.010 C 
ATOM      8  C   LIG    1        1.015   0.715  -3.785  0.00  0.00    +0.052 C 
ENDBRANCH   1   8
BRANCH   5   9
ATOM      9  C   LIG    1       -2.561  -1.036  -0.686  0.00  0.00    +0.104 C 
ATOM     10  C   LIG    1       -3.092  -2.151  -1.601  0.00  0.00    +0.033 C 
BRANCH   9  11
ATOM     11  N   LIG    1       -2.855  -1.233   0.759  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1       -2.663  -0.207   1.707  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -2.490  -0.461   2.904  0.00  0.00    -0.273 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -2.738   1.260   1.222  0.00  0.00    +0.217 C 
ATOM     15  O   LIG    1       -2.046   2.130   2.135  0.00  0.00    -0.365 OA
ATOM     16  C   LIG    1       -2.830   3.239   2.581  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1       -3.539   3.918   1.402  0.00  0.00    +0.109 C 
ATOM     18  N   LIG    1       -4.471   3.029   0.680  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -4.333   3.165  -0.321  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -4.231   1.620   1.039  0.00  0.00    +0.122 C 
ENDBRANCH  12  14
BRANCH  11  21
ATOM     21  C   LIG    1       -2.955  -2.604   1.245  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -3.824  -2.986   2.422  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -4.216  -3.415   1.048  0.00  0.00    +0.024 C 
ENDBRANCH  11  21
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   3  24
ATOM     24  C   LIG    1        2.393  -1.331   0.439  0.00  0.00    +0.057 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.714  -0.591   0.211  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.786  -1.074   1.182  0.00  0.00    +0.108 C 
BRANCH  26  27
ATOM     27  N   LIG    1        6.047  -0.405   0.959  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        6.664  -0.712   0.220  0.00  0.00    +0.152 HD
ATOM     29  C   LIG    1        6.357   0.792   1.528  0.00  0.00    +0.400 C 
ATOM     30  O   LIG    1        5.679   1.385   2.353  0.00  0.00    -0.226 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.541   1.224   1.027  0.00  0.00    -0.454 OA
ATOM     32  C   LIG    1        7.964   2.481   1.554  0.00  0.00    +0.282 C 
ENDBRANCH  29  31
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 10