REMARK  Name = BDB013659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107  -0.040   0.052  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1       -2.242  -1.000   0.028  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -3.523  -0.506  -0.011  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -4.577  -1.419  -0.036  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -4.293  -2.785  -0.016  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.964  -3.186   0.030  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -3.733   0.943  -0.016  0.00  0.00    +0.276 A 
ATOM      8  O   LIG    1       -4.882   1.374  -0.076  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -2.591   1.735   0.056  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1       -2.705   3.182   0.038  0.00  0.00    +0.176 C 
ATOM     11  N   LIG    1       -1.920  -2.328   0.055  0.00  0.00    -0.251 NA
ATOM     12  N   LIG    1       -1.305   1.247   0.068  0.00  0.00    -0.151 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.165  -0.582   0.058  0.00  0.00    -0.322 N 
ATOM     14  H   LIG    1        0.177  -1.589   0.221  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1        1.427   0.051   2.041  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1        1.347   0.144   0.518  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.604  -0.461  -0.169  0.00  0.00    +0.105 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.904   0.123   0.228  0.00  0.00    -0.307 NA
ATOM     19  C   LIG    1        5.000  -0.663  -0.345  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        4.022   1.519  -0.201  0.00  0.00    +0.104 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4