REMARK  Name = BDB034994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.315  -1.456   0.740  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.628  -0.119   0.772  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.474   0.095   0.019  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.899   1.379   0.112  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.753   1.610  -0.632  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -0.196   0.616  -1.442  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1       -0.830  -0.616  -1.452  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -2.394   2.377   0.870  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.502   2.143   1.583  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -1.951  -0.889  -0.749  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.147   0.916   1.562  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.004   3.187   2.364  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.950   3.410   2.071  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -4.033   2.904   3.338  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        1.056   0.851  -2.229  0.00  0.00    +0.141 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.224   0.485  -1.470  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        2.546   1.086  -0.716  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        2.790  -0.769  -1.536  0.00  0.00    +0.263 C 
ATOM     19  O   LIG    1        2.426  -1.644  -2.313  0.00  0.00    -0.269 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.900  -1.000  -0.559  0.00  0.00    +0.129 A 
ATOM     21  N   LIG    1        4.196   0.036   0.267  0.00  0.00    -0.231 NA
ATOM     22  C   LIG    1        5.188  -0.202   1.132  0.00  0.00    +0.221 A 
ATOM     23  N   LIG    1        5.886  -1.344   1.239  0.00  0.00    -0.244 NA
ATOM     24  C   LIG    1        5.543  -2.334   0.393  0.00  0.00    +0.115 A 
ATOM     25  C   LIG    1        4.544  -2.218  -0.540  0.00  0.00    +0.053 A 
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 4