REMARK  Name = BDB013748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.011  -1.248  -0.832  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1        0.022  -1.103  -2.354  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -0.842  -0.177  -0.250  0.00  0.00    -0.323 N 
ATOM      4  H   LIG    1       -0.383   0.337   0.494  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.223  -0.232  -0.199  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -2.962   0.857   0.498  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -4.340   0.727   0.628  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -5.085   1.711   1.293  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.448   2.836   1.815  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.071   2.983   1.666  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.017  -0.440   0.041  0.00  0.00    +0.275 A 
ATOM     12  O   LIG    1       -6.229  -0.575   0.194  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -4.216  -1.319  -0.675  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1       -4.802  -2.500  -1.279  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -2.327   2.000   1.006  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -2.852  -1.232  -0.750  0.00  0.00    -0.153 NA
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        1.403  -1.332  -0.112  0.00  0.00    +0.106 C 
BRANCH  17  21
ATOM     18  C   LIG    1        3.590   2.340   0.832  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        2.669   2.334  -0.216  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        1.960   1.174  -0.546  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        2.149  -0.012   0.174  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        3.087   0.008   1.225  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        3.798   1.169   1.553  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.191   3.582   2.072  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.209   3.540   1.044  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  21
BRANCH  17  26
ATOM     26  N   LIG    1        2.355  -2.395  -0.531  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1        1.760  -3.728  -0.551  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        3.099  -2.130  -1.757  0.00  0.00    +0.105 C 
ENDBRANCH  17  26
ENDBRANCH   1  17
TORSDOF 6