REMARK  Name = BDB007306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.514  -0.722   2.917  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        2.418  -0.417   1.799  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1        2.126   0.806   1.118  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1        3.216   1.667   1.095  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        3.292   2.740   0.522  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        4.291   1.021   1.852  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        5.582   1.407   2.193  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        6.332   0.487   2.955  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.808  -0.757   3.340  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.511  -1.114   2.981  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        3.752  -0.216   2.243  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        1.021   0.900   0.165  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -0.188   1.596   0.790  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -1.324   1.717  -0.223  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -1.700   0.402  -0.770  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -0.553  -0.230  -1.441  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.611  -0.430  -0.471  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -2.856   0.551  -1.677  0.00  0.00    +0.088 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.532  -0.779  -2.082  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -3.991  -1.589  -0.857  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.728  -2.864  -1.262  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -5.899  -2.570  -2.193  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.455  -1.772  -3.413  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.725  -0.492  -3.012  0.00  0.00    +0.005 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  25
ATOM     25  C   LIG    1        6.265   2.686   1.855  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        7.365   2.952   2.333  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        5.681   3.572   1.006  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        4.742   3.468   0.625  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        6.155   4.447   0.834  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 4