REMARK  Name = BDB032514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.249  -1.927   0.577  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        0.432  -1.431  -0.443  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.565  -0.524  -0.118  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1       -0.796  -0.078   1.134  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.011  -0.557   2.103  0.00  0.00    +0.115 A 
ATOM      6  C   LIG    1        1.031  -1.469   1.880  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.367  -2.892   0.270  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1        3.621  -2.171   0.046  0.00  0.00    -0.339 N 
ATOM      9  H   LIG    1        3.444  -1.313  -0.474  0.00  0.00    +0.146 HD
BRANCH   8  16
ATOM     10  C   LIG    1        5.249   3.134   1.756  0.00  0.00    +0.063 C 
ATOM     11  C   LIG    1        5.159   1.657   1.837  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        5.741   0.949   2.861  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        6.272   1.333   3.629  0.00  0.00    +0.167 HD
ATOM     14  C   LIG    1        5.503  -0.389   2.707  0.00  0.00    +0.140 A 
ATOM     15  C   LIG    1        4.755  -0.565   1.549  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        4.380  -1.881   1.196  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.839  -2.899   2.044  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        5.589  -2.580   3.170  0.00  0.00    +0.115 A 
ATOM     19  N   LIG    1        5.940  -1.335   3.557  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        4.537   0.738   1.011  0.00  0.00    +0.034 A 
ENDBRANCH   8  16
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  O   LIG    1       -1.341  -0.073  -1.168  0.00  0.00    -0.476 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.346   0.862  -0.766  0.00  0.00    +0.234 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.153   1.280  -2.006  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -4.205   2.347  -1.658  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -5.590   1.729  -1.478  0.00  0.00    +0.084 C 
ATOM     26  N   LIG    1       -6.073   1.097  -2.713  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1       -7.177   0.184  -2.427  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1       -5.017   0.453  -3.506  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1       -3.794   0.054  -2.683  0.00  0.00    +0.022 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6