REMARK  Name = BDB002334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.827   0.253  -0.584  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        0.357   0.638  -0.842  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -0.168   0.384  -1.932  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.428   1.056   0.227  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.044   0.929   1.636  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        0.650  -0.366   2.093  0.00  0.00    +0.019 C 
ATOM      7  C   LIG    1        0.813  -1.474   1.059  0.00  0.00    +0.004 C 
ATOM      8  C   LIG    1        1.853  -1.177  -0.029  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        2.766   2.484  -0.072  0.00  0.00    +0.230 C 
ATOM     10  N   LIG    1        2.550   1.164   0.297  0.00  0.00    -0.303 N 
ATOM     11  H   LIG    1        3.355   0.798   0.802  0.00  0.00    +0.149 HD
ATOM     12  O   LIG    1        2.199   3.029  -1.012  0.00  0.00    -0.274 OA
BRANCH   9  13
ATOM     13  C   LIG    1        3.749   3.193   0.892  0.00  0.00    +0.137 C 
ATOM     14  C   LIG    1        4.138   4.569   0.360  0.00  0.00    +0.034 C 
BRANCH  13  16
ATOM     15  C   LIG    1        5.642   2.600   2.311  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1        4.913   2.291   1.087  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1        5.541   2.397   0.285  0.00  0.00    +0.122 HD
ENDBRANCH  13  16
ENDBRANCH   9  13
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.746   1.661  -0.089  0.00  0.00    +0.159 C 
ATOM     19  C   LIG    1       -2.003   2.963   0.674  0.00  0.00    +0.038 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.872   0.618   0.116  0.00  0.00    +0.237 C 
ATOM     21  N   LIG    1       -2.661  -0.527  -0.643  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1       -1.876  -0.460  -1.285  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -3.843   0.852   0.833  0.00  0.00    -0.273 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.410  -1.730  -0.660  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -3.055  -2.770  -1.581  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -3.804  -3.978  -1.560  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -3.493  -5.028  -2.441  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -2.450  -4.915  -3.356  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -1.706  -3.747  -3.403  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.867  -4.131  -0.661  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -5.199  -3.117   0.229  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -2.003  -2.693  -2.531  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -4.471  -1.931   0.232  0.00  0.00    +0.024 A 
ENDBRANCH  21  24
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 6