REMARK  Name = BDB048449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.329   0.289   1.475  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.441  -0.872   1.318  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.801  -0.787   1.005  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.429   0.457   0.846  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.661   1.615   1.037  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.301   1.534   1.349  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.855   0.544   0.490  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        4.331   1.153  -0.692  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        5.712   1.274  -0.926  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.632   0.765  -0.012  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.181   0.140   1.145  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.810   0.035   1.394  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        3.448   1.706  -1.752  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        3.684   2.788  -2.274  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        2.400   0.933  -2.164  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        1.801   1.297  -2.892  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        2.182   0.032  -1.764  0.00  0.00    +0.145 HD
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.801   0.216   1.801  0.00  0.00    +0.158 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.853  -0.240  -0.459  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -2.545  -0.591   0.843  0.00  0.00    -0.323 N 
ATOM     21  C   LIG    1       -3.093  -1.831   1.095  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.711  -2.178  -0.102  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1       -4.380  -3.407  -0.206  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -4.406  -4.258   0.904  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.779  -3.892   2.095  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.107  -2.670   2.218  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1       -3.552  -1.194  -1.041  0.00  0.00    -0.232 NA
BRANCH  19  28
ATOM     28  C   LIG    1       -2.414   1.041  -1.101  0.00  0.00    +0.074 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -2.683   2.624  -3.043  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.140   1.314  -2.420  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  19  28
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6