REMARK  Name = BDB014435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.863  -0.472   1.302  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.618   0.045   0.049  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        2.237  -0.256  -0.712  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.381  -0.001   2.330  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.734  -1.734   1.312  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.858  -1.731   0.440  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1        5.316  -0.027  -0.369  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        4.804  -0.775   0.703  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1        5.343  -0.599   1.981  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        6.356   0.341   2.195  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        6.846   1.099   1.134  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.330   0.917  -0.149  0.00  0.00    +0.017 A 
BRANCH   7  16
ATOM     13  N   LIG    1        5.643  -0.186  -2.766  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.630  -0.341  -2.611  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.272  -0.414  -3.680  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        4.748  -0.176  -1.732  0.00  0.00    +0.245 C 
ATOM     17  O   LIG    1        3.543  -0.281  -1.928  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.911   1.296  -0.129  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.608   1.198   0.118  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.125   2.532   0.235  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.816   2.871   1.094  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -1.305   0.458  -1.051  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.706   0.024  -0.880  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.638   1.146  -0.695  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.078   0.690  -0.543  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.378  -0.616  -0.115  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.713  -1.004   0.057  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.745  -0.093  -0.171  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.451   1.207  -0.577  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.265  -1.614   0.093  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.125   1.599  -0.759  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -2.881  -0.954   0.199  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9