REMARK  Name = BDB045743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.394   1.570  -0.143  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.145   0.396   0.003  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        2.555   0.414   0.059  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        3.188   1.665  -0.036  0.00  0.00    +0.050 A 
ATOM      5  N   LIG    1        4.582   1.752   0.013  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        5.047   2.648  -0.055  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        5.420   0.675   0.153  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1        4.796  -0.668   0.258  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        5.636  -1.783   0.401  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        5.090  -3.058   0.503  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.709  -3.217   0.461  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.872  -2.103   0.318  0.00  0.00    +0.009 A 
ATOM     13  O   LIG    1        6.636   0.828   0.188  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        2.456   2.844  -0.181  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.393  -0.799   0.212  0.00  0.00    -0.004 A 
ATOM     16  C   LIG    1        1.064   2.794  -0.234  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -1.897   0.537  -0.137  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1       -1.020   1.610  -0.205  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.407   2.542  -0.312  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -1.587  -0.643  -0.009  0.00  0.00    -0.278 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -3.371   0.971  -0.240  0.00  0.00    +0.021 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.384  -0.896   1.152  0.00  0.00    -0.092 C 
ATOM     23  N   LIG    1       -4.459  -0.147  -0.176  0.00  0.00    +0.380 N 
ATOM     24  C   LIG    1       -4.281  -1.137  -1.324  0.00  0.00    -0.092 C 
ATOM     25  C   LIG    1       -5.830   0.505  -0.296  0.00  0.00    -0.092 C 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 3