REMARK  Name = BDB007310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.251  -0.901   2.114  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -2.962  -0.797   1.612  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -2.095   0.233   2.002  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1       -0.835   0.185   1.362  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1       -0.089   0.198   2.062  0.00  0.00    +0.187 HD
ATOM      6  N   LIG    1       -0.887  -1.047   0.649  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -2.491   1.204   2.905  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.779   1.126   3.430  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.172  -1.589   0.664  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1       -2.584  -2.521  -0.005  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.644   0.089   3.040  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.035  -1.252  -0.468  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -0.374  -0.425  -1.696  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        0.817  -0.242  -2.629  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1        1.890   0.542  -2.003  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1        2.018   0.326  -0.554  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        1.506  -1.034  -0.084  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.159   0.353  -2.729  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.155   1.420  -2.423  0.00  0.00    +0.119 A 
ATOM     20  O   LIG    1        5.384   1.008  -1.996  0.00  0.00    -0.467 OA
ATOM     21  C   LIG    1        6.125   2.126  -1.783  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        5.390   3.253  -2.066  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.116   2.799  -2.481  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  27
ATOM     24  N   LIG    1       -4.990  -2.900   0.868  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -4.122  -2.963   0.340  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.702  -3.590   0.672  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.263  -1.946   1.796  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -6.350  -1.956   2.366  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4