REMARK  Name = BDB013687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.755  -0.692  -0.244  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -2.178  -1.053  -0.003  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -3.147  -0.434  -0.784  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.506  -0.718  -0.585  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.892  -1.637   0.390  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.923  -2.279   1.159  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.737   0.503  -1.841  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -3.597   1.083  -2.500  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.370   0.654  -2.030  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1       -0.878   1.564  -3.047  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -2.568  -1.993   0.962  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -0.414   0.102  -1.220  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.222  -1.204   0.593  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -0.063  -1.444   1.535  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1        2.475  -1.857   1.206  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1        1.629  -0.792   0.505  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.818   0.612   1.148  0.00  0.00    +0.105 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.211   1.106   1.207  0.00  0.00    -0.307 NA
ATOM     19  C   LIG    1        3.735   1.380  -0.135  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        3.272   2.328   2.015  0.00  0.00    +0.104 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4