REMARK  Name = BDB017367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.488   0.312  -0.714  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -4.315   0.130  -0.408  0.00  0.00    +0.261 A 
ATOM      3  C   LIG    1       -3.316   1.176  -0.462  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -2.019   0.899  -0.107  0.00  0.00    +0.152 A 
ATOM      5  O   LIG    1       -1.227   1.992  -0.206  0.00  0.00    -0.462 OA
ATOM      6  C   LIG    1       -2.041   2.996  -0.647  0.00  0.00    +0.196 A 
ATOM      7  C   LIG    1       -1.530  -0.386   0.332  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1       -2.518  -1.389   0.386  0.00  0.00    +0.146 A 
ATOM      9  N   LIG    1       -2.280  -2.654   0.777  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -1.010  -2.936   1.137  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1        0.031  -2.017   1.111  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -0.213  -0.707   0.689  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.334   2.543  -0.818  0.00  0.00    +0.055 A 
ATOM     14  N   LIG    1       -3.848  -1.099   0.019  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.506  -1.862   0.078  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  12  16
ATOM     16  N   LIG    1        0.816   0.256   0.637  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1        0.465   1.202   0.476  0.00  0.00    +0.152 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.187   0.146   0.337  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.041   1.185   0.738  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        4.417   1.121   0.502  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.962   0.012  -0.137  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.130  -1.030  -0.538  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        2.754  -0.964  -0.298  0.00  0.00    +0.023 A 
ENDBRANCH  16  18
ENDBRANCH  12  16
TORSDOF 2