REMARK  Name = BDB032479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.148   0.658  -0.568  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        1.373   1.978  -0.715  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.336   2.803  -0.457  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -0.914   2.367  -0.049  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -1.126   0.995   0.111  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.066   0.125  -0.158  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.158  -0.254  -0.789  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.363   0.266  -1.359  0.00  0.00    +0.237 C 
BRANCH   8  13
ATOM      9  C   LIG    1        8.452  -1.301   0.794  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1        7.201  -1.037   0.084  0.00  0.00    -0.305 NA
ATOM     11  C   LIG    1        6.052  -1.462   0.892  0.00  0.00    +0.085 C 
ATOM     12  C   LIG    1        4.738  -1.254   0.135  0.00  0.00    +0.025 C 
ATOM     13  C   LIG    1        4.542   0.201  -0.352  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        4.244   1.123   0.848  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.829   0.663  -1.073  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        7.105   0.384  -0.273  0.00  0.00    +0.085 C 
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  17
ATOM     17  C   LIG    1       -2.471   0.471   0.546  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.437   0.694  -0.521  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -3.042   0.508  -1.440  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.736   0.193  -0.401  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.347  -0.102   0.824  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -6.686  -0.539   0.905  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -7.461  -0.660  -0.266  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -8.799  -1.105  -0.123  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -9.349  -1.409   1.067  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -8.581  -1.277   2.164  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -6.855  -0.321  -1.495  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.266  -0.852   2.137  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -5.524   0.109  -1.552  0.00  0.00    +0.023 A 
BRANCH  24  30
ATOM     30  N   LIG    1       -9.642  -1.252  -1.237  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -9.226  -1.914  -1.884  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -9.733  -0.355  -1.703  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 7