REMARK  Name = BDB007312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.312   0.327   2.371  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        2.342   1.025   1.518  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1        1.631   0.163   0.616  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1        1.707   0.629  -0.695  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        1.091   0.223  -1.664  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        2.630   1.766  -0.702  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        3.135   2.578  -1.711  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.001   3.615  -1.308  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.335   3.820   0.040  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.814   2.987   1.026  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.965   1.955   0.648  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.486  -0.582   1.153  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1        0.385  -1.991   0.555  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -0.978  -2.589   0.890  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1       -2.085  -1.850   0.272  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -1.794  -0.428   0.032  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1       -0.840   0.192   1.051  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.340  -2.071   1.011  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.550  -1.725   0.210  0.00  0.00    +0.119 A 
ATOM     20  O   LIG    1       -5.507  -0.981   0.839  0.00  0.00    -0.467 OA
ATOM     21  C   LIG    1       -6.508  -0.786  -0.057  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1       -6.213  -1.395  -1.253  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -4.948  -2.006  -1.082  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        2.877   2.475  -3.175  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        3.354   3.298  -3.952  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        2.119   1.461  -3.668  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        1.581   0.819  -3.089  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        1.908   1.471  -4.657  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 4