REMARK  Name = BDB008949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.708  -0.815  -0.579  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.879  -0.669  -1.924  0.00  0.00    -0.250 NA
ATOM      3  C   LIG    1       -0.100  -1.166  -2.707  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -1.241  -1.788  -2.219  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.409  -1.913  -0.836  0.00  0.00    -0.038 A 
ATOM      6  C   LIG    1       -0.398  -1.426   0.001  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.780  -0.395   1.508  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        1.806  -0.276   0.289  0.00  0.00    +0.263 C 
ATOM      9  N   LIG    1        2.825   0.340  -0.410  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.769   0.252  -1.422  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.061   0.769   0.218  0.00  0.00    +0.073 C 
ATOM     12  C   LIG    1        5.021  -0.416   0.390  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        6.357   0.023   0.984  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        6.996   1.144   0.170  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1        6.045   2.325  -0.002  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        4.711   1.889  -0.600  0.00  0.00    +0.022 C 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   5  17
ATOM     17  C   LIG    1       -2.627  -2.606  -0.272  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.300  -1.846   0.868  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -4.084  -0.605   0.575  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.261  -0.114  -0.834  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -5.357   0.948  -0.972  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.266   1.978   0.146  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.402   1.312   1.517  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.617   0.034   1.631  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.443  -0.513   3.000  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -4.935   0.034   3.982  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -3.710  -1.664   3.095  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -3.570  -2.050   4.023  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -3.134  -2.334   2.062  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 4