REMARK  Name = BDB003615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.875   0.236  -0.355  0.00  0.00    +0.157 A 
ATOM      2  N   LIG    1        0.887   1.030   0.215  0.00  0.00    -0.271 N 
ATOM      3  H   LIG    1        0.853   1.046   1.231  0.00  0.00    +0.189 HD
ATOM      4  N   LIG    1       -0.265   0.507  -0.368  0.00  0.00    -0.182 N 
ATOM      5  C   LIG    1        0.103  -0.364  -1.345  0.00  0.00    +0.255 A 
ATOM      6  N   LIG    1       -0.702  -0.884  -2.202  0.00  0.00    -0.215 NA
ATOM      7  C   LIG    1       -2.032  -0.506  -2.093  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.496   0.418  -1.215  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -2.908  -1.249  -3.072  0.00  0.00    +0.066 C 
ATOM     10  C   LIG    1       -1.495   1.094  -0.323  0.00  0.00    +0.278 A 
ATOM     11  O   LIG    1       -1.773   2.076   0.360  0.00  0.00    -0.265 OA
ATOM     12  N   LIG    1        1.455  -0.584  -1.295  0.00  0.00    -0.191 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        5.984   0.358   0.869  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        5.534  -0.640   0.004  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        4.193  -0.672  -0.396  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.293   0.292   0.071  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        3.741   1.296   0.932  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        5.082   1.323   1.327  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        8.223  -0.439   0.880  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        7.261   0.504   1.335  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   1  16
BRANCH   8  21
ATOM     21  C   LIG    1       -3.917   0.891  -1.053  0.00  0.00    +0.077 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.629   0.237   0.112  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -4.669   0.868   1.364  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.308   0.260   2.446  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.911  -0.986   2.290  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.875  -1.625   1.053  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.237  -1.018  -0.031  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 4