REMARK  Name = BDB021146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.407   0.191  -0.085  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.328  -0.354   0.640  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -0.030  -0.060   0.257  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        1.243  -0.495   0.826  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        2.229   0.108   0.092  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        1.706   0.838  -0.940  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        2.282   1.442  -1.824  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1        1.352  -1.246   1.777  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.253   0.752  -0.817  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -0.750   1.315  -1.568  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.072   1.027  -1.189  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.641  -0.192   0.272  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        4.078  -1.221  -0.775  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        3.307  -1.991  -1.345  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        5.434  -1.295  -1.008  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.728  -1.982  -1.689  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        6.417  -0.460  -0.537  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        7.587  -0.604  -0.877  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.990   0.593   0.461  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        4.553   1.031   0.221  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  N   LIG    1       -3.730  -0.073   0.261  0.00  0.00    -0.330 N 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.316   1.762  -0.182  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -4.862   0.363  -0.571  0.00  0.00    +0.102 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -4.087  -0.838   1.466  0.00  0.00    +0.102 C 
ATOM     25  C   LIG    1       -4.114  -2.332   1.178  0.00  0.00    +0.024 C 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 4