REMARK  Name = BDB009242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.744   1.837  -1.332  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.004   0.666  -1.522  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.018   0.614  -2.493  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.249   1.746  -3.290  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.514   2.916  -3.095  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.473   2.965  -2.112  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.113   3.018   0.180  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.812   1.930  -0.297  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.439   0.747   0.045  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.352  -0.028  -0.600  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.596   0.761   0.923  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.880  -0.623   1.504  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.093  -0.624   2.396  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1        6.368  -0.852   1.871  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        7.456  -0.824   2.730  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        7.361  -0.588   4.055  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        6.121  -0.365   4.543  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.973  -0.371   3.765  0.00  0.00    +0.023 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -1.827  -0.645  -2.721  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.285  -1.328  -1.436  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.507  -0.830  -0.730  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.277   0.350  -1.256  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.298   0.907  -0.259  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.054  -0.213   0.443  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.093  -1.140   1.189  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.869  -1.486   0.386  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.054  -2.624   0.879  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.345  -3.236   1.901  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -1.959  -2.947   0.124  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.395  -3.728   0.442  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.564  -2.327  -1.020  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6