REMARK  Name = BDB039663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.459  -0.147  -1.244  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.661  -0.357  -2.160  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1       -1.888  -0.696  -1.230  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -2.388  -1.500  -2.442  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1       -2.450   0.569  -0.855  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1       -1.407   1.556  -0.446  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -0.859  -1.774  -2.712  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        0.024   0.904  -0.265  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.783   0.810  -0.496  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.715  -0.221  -0.336  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -6.024  -0.068  -0.007  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -6.465   1.198   0.171  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -5.632   2.301   0.027  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.290   2.099  -0.311  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.905   1.432   0.533  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -8.803   0.400   0.692  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -9.733   0.716   0.934  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -8.582  -1.019   0.556  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -8.315   2.583   0.698  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.642   0.258  -2.014  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.866  -0.597   1.790  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        5.996  -1.815   1.907  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        6.305  -2.765   2.618  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        4.833  -1.823   1.181  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        4.256  -2.648   1.273  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.444  -0.770   0.346  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        5.254   0.356   0.223  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.957   1.413  -0.562  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.794   1.337  -1.252  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.907   0.263  -1.190  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        3.257  -0.821  -0.373  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.500   0.412   0.978  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        7.922  -0.268   4.046  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        8.148  -0.589   2.575  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5