REMARK  Name = BDB024610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.430  -0.401  -0.674  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.639   0.002   0.410  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -5.299   0.812   1.454  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -6.706   0.304   1.832  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.487   0.806   2.748  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -3.103   1.356   2.503  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.424   0.672   1.347  0.00  0.00    -0.003 A 
ATOM      8  C   LIG    1       -1.012   0.760   1.225  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.347   0.109   0.165  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1       -1.088  -0.522  -0.818  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -2.485  -0.541  -0.737  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -3.188   0.025   0.341  0.00  0.00    +0.045 A 
ATOM     13  O   LIG    1       -6.422   0.208  -1.064  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   9  14
ATOM     14  N   LIG    1        1.060   0.194   0.170  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        1.413   0.759   0.939  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        1.955  -0.343  -0.731  0.00  0.00    +0.218 C 
ATOM     17  O   LIG    1        1.680  -1.044  -1.698  0.00  0.00    -0.275 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.388   0.009  -0.371  0.00  0.00    +0.115 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.383  -0.481  -1.433  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.815  -0.344  -0.934  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        6.369   0.913  -0.637  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        7.681   1.019  -0.174  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        8.456  -0.126  -0.002  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.921  -1.378  -0.296  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.609  -1.487  -0.760  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1        4.206   0.200  -2.782  0.00  0.00    +0.313 C 
ATOM     27  O   LIG    1        4.599  -0.226  -3.858  0.00  0.00    -0.250 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.615   1.411  -2.724  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        3.575   1.682  -3.666  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   9  14
BRANCH   8  30
ATOM     30  N   LIG    1       -0.202   1.302   2.271  0.00  0.00    -0.356 N 
ATOM     31  H   LIG    1       -0.018   0.563   2.952  0.00  0.00    +0.142 HD
ATOM     32  H   LIG    1       -0.672   2.068   2.746  0.00  0.00    +0.142 HD
ENDBRANCH   8  30
BRANCH   1  34
ATOM     33  C   LIG    1       -5.898  -2.083  -2.243  0.00  0.00    +0.282 C 
ATOM     34  O   LIG    1       -5.060  -1.608  -1.189  0.00  0.00    -0.453 OA
ENDBRANCH   1  34
TORSDOF 8