REMARK  Name = BDB031792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.308   0.342   0.164  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1        1.109  -0.163   0.765  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.206   0.890   0.718  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.100   0.805   1.213  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -1.535  -0.414   1.768  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.620  -1.479   1.835  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1        0.887   1.910   0.117  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1        0.548   2.843  -0.087  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        0.691  -1.376   1.342  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1        2.139   1.605  -0.239  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.940  -0.550   2.308  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -4.165  -0.426   1.423  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -4.159  -0.161  -0.056  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -5.241   0.687  -0.350  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -5.518   1.127  -1.632  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -4.681   0.695  -2.662  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.601  -0.161  -2.393  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.942   0.970   0.840  0.00  0.00    -0.273 N 
ATOM     19  C   LIG    1       -7.122   1.788   0.904  0.00  0.00    +0.138 C 
ATOM     20  C   LIG    1       -3.339  -0.596  -1.089  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -5.372   0.328   1.933  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1       -5.734   0.339   3.099  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -3.784  -1.767   1.984  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  24
ATOM     24  N   LIG    1        3.412  -0.428   0.035  0.00  0.00    -0.279 N 
ATOM     25  H   LIG    1        3.408  -1.362   0.427  0.00  0.00    +0.155 HD
BRANCH  24  27
ATOM     26  C   LIG    1        5.649  -1.123  -0.515  0.00  0.00    +0.178 A 
ATOM     27  C   LIG    1        4.734  -0.080  -0.344  0.00  0.00    +0.170 A 
ATOM     28  N   LIG    1        5.081   1.203  -0.564  0.00  0.00    -0.214 NA
ATOM     29  C   LIG    1        6.336   1.460  -0.962  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        6.712   2.892  -1.178  0.00  0.00    +0.088 C 
ATOM     31  N   LIG    1        7.288   0.528  -1.139  0.00  0.00    -0.237 NA
ATOM     32  C   LIG    1        6.916  -0.747  -0.912  0.00  0.00    +0.162 A 
BRANCH  26  34
ATOM     33  C   LIG    1        6.139  -3.447  -0.516  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        5.214  -2.396  -0.257  0.00  0.00    -0.490 OA
ENDBRANCH  26  34
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 4