REMARK  Name = BDB012875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.357  -0.010   0.624  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.460   0.977  -0.133  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.896   0.494   0.093  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        1.965   1.124  -0.525  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.781   2.056  -1.305  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.878  -0.840   0.681  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.562  -1.310   0.529  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.289   0.640  -0.228  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        3.740   0.239   0.997  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        3.232   0.236   1.874  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        5.013  -0.186   1.004  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        5.435   0.041  -0.247  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        4.398   0.572  -1.048  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        6.848  -0.258  -0.661  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        7.859   0.584   0.121  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        7.175  -1.747  -0.535  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -3.641   0.853   0.308  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1       -2.695  -0.129   0.080  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -2.869  -0.794  -0.663  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -3.412   1.802   1.058  0.00  0.00    -0.276 OA
BRANCH  17  24
ATOM     21  C   LIG    1       -8.175  -0.405   0.475  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -7.035   0.068  -0.403  0.00  0.00    -0.013 C 
ATOM     23  C   LIG    1       -6.248   1.306   0.089  0.00  0.00    +0.016 C 
ATOM     24  C   LIG    1       -4.963   0.637  -0.473  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1       -5.706  -0.717  -0.295  0.00  0.00    +0.016 C 
ENDBRANCH  17  24
ENDBRANCH   1  18
TORSDOF 4