REMARK  Name = BDB012753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.325  -1.389  -0.068  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.263  -0.265  -0.921  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.632  -0.114  -0.442  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.492   0.767  -1.073  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.082   1.474  -1.995  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.831  -0.850   0.797  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.428  -1.228   1.256  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.478  -3.806  -0.775  0.00  0.00    +0.066 C 
ATOM      9  C   LIG    1        3.811  -2.551  -0.299  0.00  0.00    +0.042 A 
ATOM     10  N   LIG    1        2.460  -2.494  -0.388  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        1.824  -1.378   0.047  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        2.520  -0.296   0.572  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        3.908  -0.362   0.633  0.00  0.00    +0.132 A 
ATOM     14  C   LIG    1        4.570  -1.510   0.213  0.00  0.00    +0.069 A 
BRANCH  13  15
ATOM     15  O   LIG    1        4.559   0.716   1.187  0.00  0.00    -0.456 OA
BRANCH  15  16
ATOM     16  C   LIG    1        5.689   1.169   0.544  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1        5.716   1.438  -0.827  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        6.884   1.928  -1.413  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        8.014   2.162  -0.628  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.977   1.914   0.745  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        6.810   1.425   1.333  0.00  0.00    +0.046 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1       -3.865   0.873  -0.642  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -4.629   1.939  -1.041  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1       -4.331   2.705  -1.637  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -5.884   1.934  -0.566  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1       -5.961   0.793   0.126  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -4.730   0.092   0.100  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -7.236   0.379   0.806  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1       -8.372   0.165  -0.196  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -7.652   1.377   1.889  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 5