REMARK  Name = BDB063857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.900   3.674  -0.921  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.756   2.486  -0.713  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.788   1.429  -0.546  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.097   1.706  -0.603  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.167   0.220  -0.320  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.106   0.490  -0.340  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.399   1.789  -0.567  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.301   2.220  -0.624  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.212   0.759  -0.439  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.403   1.230   0.141  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        6.510   0.367   0.284  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.400  -0.945  -0.171  0.00  0.00    +0.046 A 
ATOM     13  N   LIG    1        7.603  -1.565   0.084  0.00  0.00    -0.361 N 
ATOM     14  H   LIG    1        7.809  -2.528  -0.142  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1        8.469  -0.688   0.682  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        5.236  -1.440  -0.766  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        7.819   0.517   0.819  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        4.151  -0.563  -0.895  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -1.040  -0.473  -0.148  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -0.609  -1.363   0.091  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.469  -0.386   0.094  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -2.993  -1.817   0.401  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -4.507  -1.802   0.665  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -4.800  -0.887   1.865  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.305   0.538   1.571  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -5.021   1.076   0.319  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.737   0.165  -0.888  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -5.229  -1.257  -0.577  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -2.788   0.507   1.313  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.221   0.131  -1.153  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3