REMARK  Name = BDB061301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.829   0.909  -0.572  0.00  0.00    -0.026 C 
ATOM      2  C   LIG    1        1.843   1.764  -0.781  0.00  0.00    +0.005 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        3.054   1.363  -1.522  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1        4.097   0.579  -0.937  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        3.925   0.160   0.395  0.00  0.00    -0.339 N 
ATOM      6  H   LIG    1        3.243   0.742   0.879  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1        5.092  -0.151   1.203  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1        5.606  -1.512   0.793  0.00  0.00    +0.118 C 
ATOM      9  C   LIG    1        6.559  -1.384  -0.350  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1        6.273  -0.618  -1.433  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        6.996  -0.721  -2.135  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        7.618  -2.021  -0.353  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.664  -0.170   2.673  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        5.182   0.211  -1.770  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        5.239   0.697  -3.095  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        4.232   1.491  -3.629  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.136   1.814  -2.846  0.00  0.00    +0.010 A 
ENDBRANCH   2   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.435   1.267   0.156  0.00  0.00    +0.029 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.634   1.244  -0.790  0.00  0.00    +0.023 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.929   1.754  -0.149  0.00  0.00    +0.105 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -5.043  -1.927  -1.133  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.395  -0.728  -0.807  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.157  -0.338   0.526  0.00  0.00    +0.036 A 
ATOM     24  N   LIG    1       -3.490   0.842   0.855  0.00  0.00    -0.330 N 
ATOM     25  C   LIG    1       -3.146   1.087   2.257  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1       -4.269   0.643   3.178  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -4.490  -0.846   2.996  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -4.653  -1.191   1.538  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -5.291  -2.401   1.216  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -5.481  -2.762  -0.111  0.00  0.00    +0.046 A 
BRANCH  21  32
ATOM     31  C   LIG    1       -4.871  -1.573  -3.480  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -5.298  -2.388  -2.396  0.00  0.00    -0.495 OA
ENDBRANCH  21  32
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6