REMARK  Name = BDB053944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.485   0.225   0.084  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.270  -0.094  -0.550  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.959   0.148   0.104  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.916   0.694   1.389  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.212   0.823   1.826  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.477   1.187   2.730  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.097   0.392   0.871  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.500   0.342   0.886  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.475   0.713   1.970  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.782   0.820   1.172  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.661  -0.156  -0.009  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.184  -0.154  -0.233  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.466  -0.586  -1.316  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -4.900  -1.153  -2.591  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -6.050  -1.349  -2.930  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -3.768  -1.402  -3.299  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -3.760  -1.784  -4.230  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -2.640  -1.044  -2.623  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -1.501  -1.130  -3.033  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.075  -0.527  -1.328  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.278   1.014   2.043  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.340  -0.040  -0.234  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.479   0.771   1.369  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        2.757  -0.835  -1.600  0.00  0.00    -0.291 OA
ATOM     25  C   LIG    1        2.757  -0.048  -0.653  0.00  0.00    +0.177 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.038   0.669  -0.234  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.687   0.006   0.915  0.00  0.00    -0.291 NA
ATOM     28  C   LIG    1        5.137  -1.373   0.602  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1        6.363  -1.443  -0.325  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1        7.461  -0.696   0.217  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        7.090   0.669   0.436  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1        5.869   0.776   1.368  0.00  0.00    +0.113 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 3