REMARK  Name = BDB007505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.096  -0.638   0.003  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.284  -1.555  -0.631  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.692  -2.085  -1.391  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.829  -0.146   1.092  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.692   0.350  -0.585  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        4.498  -0.002   0.049  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        3.350  -0.274  -0.708  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        3.383  -0.171  -2.103  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        4.568   0.190  -2.740  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        5.714   0.449  -1.983  0.00  0.00    +0.023 A 
BRANCH   5  13
ATOM     11  C   LIG    1        8.543   0.937   1.817  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        7.143   0.510   1.451  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1        6.895   0.631   0.095  0.00  0.00    -0.286 N 
ATOM     14  H   LIG    1        7.675   0.920  -0.482  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        6.377   0.078   2.303  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1        0.111  -2.135   0.019  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.008  -1.109   0.315  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.751  -0.465   1.568  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.192  -0.182   1.557  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.380  -1.832   0.382  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.615  -1.030   0.457  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.844  -0.215  -0.745  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.109   0.617  -0.668  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.690   0.928   0.576  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.840   1.726   0.627  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.398   2.234  -0.545  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.815   1.944  -1.777  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.110   0.349   1.843  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.674   1.142  -1.839  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.680  -0.180   1.653  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7