REMARK  Name = BDB057225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.230   1.604   0.207  0.00  0.00    +0.012 A 
ATOM      2  C   LIG    1       -0.543   2.747  -0.550  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -1.806   2.852  -1.139  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.756   1.833  -0.989  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.468   0.693  -0.235  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.207   0.598   0.365  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.425  -0.390  -0.061  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -3.064  -1.639   0.438  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -4.181  -2.315   0.451  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -4.617  -3.672   0.830  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -6.020  -3.740   0.172  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -6.479  -2.280  -0.007  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -5.220  -1.569  -0.004  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -4.785  -0.343  -0.345  0.00  0.00    +0.115 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  C   LIG    1        1.108   1.442   0.890  0.00  0.00    +0.143 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.775  -0.305   1.344  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1        1.677   0.133   0.639  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        1.460  -0.297  -0.249  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        3.305   0.338   2.243  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        5.269  -3.080   0.787  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.700  -1.861   1.157  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        3.336  -1.621   0.931  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        2.535  -2.616   0.355  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        3.104  -3.833  -0.016  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.465  -4.059   0.195  0.00  0.00    +0.045 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.426  -2.497   1.597  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.580  -3.437   0.944  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   2  28
ATOM     28  O   LIG    1        0.437   3.697  -0.630  0.00  0.00    -0.489 OA
BRANCH  28  29
ATOM     29  C   LIG    1        0.317   4.769  -1.570  0.00  0.00    +0.167 C 
ATOM     30  C   LIG    1        1.736   5.133  -2.002  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -0.348   5.969  -0.901  0.00  0.00    +0.051 C 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 7