REMARK  Name = BDB001253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.991  -1.719   1.393  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -2.347  -1.395   0.119  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -0.969  -0.886   0.334  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        0.018  -1.635  -0.582  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1        1.442  -1.242  -0.225  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1        1.716   0.097   0.176  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        0.596   1.085   0.145  0.00  0.00    -0.009 A 
ATOM      8  C   LIG    1        0.786   2.471   0.024  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.293   3.356  -0.073  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.595   2.871  -0.097  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -1.826   1.498  -0.015  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1       -3.219   0.949  -0.137  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1        3.041   0.374   0.555  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        4.029  -0.618   0.524  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1        3.759  -1.896   0.068  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        2.459  -2.211  -0.307  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -0.743   0.612   0.152  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -3.170  -0.482  -0.683  0.00  0.00    +0.089 C 
ENDROOT
BRANCH  13  19
ATOM     19  O   LIG    1        3.437   1.619   0.972  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1        4.317   1.760   0.574  0.00  0.00    +0.292 HD
ENDBRANCH  13  19
BRANCH  14  21
ATOM     21  O   LIG    1        5.288  -0.342   0.986  0.00  0.00    -0.503 OA
ATOM     22  H   LIG    1        5.158   0.210   1.780  0.00  0.00    +0.292 HD
ENDBRANCH  14  21
TORSDOF 2