REMARK  Name = BDB024495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.593  -1.062   0.119  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.714  -0.056   0.563  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.365   1.236   0.849  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.787   1.938  -0.453  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.524   2.156   1.730  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.159   2.363   1.109  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.505   1.031   0.877  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.094   0.938   0.895  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.172   1.936   1.054  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.020   1.371   0.986  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.897   0.001   0.828  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.460  -0.284   0.750  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.185  -1.465   0.588  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.584  -1.363   0.548  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.271  -0.141   0.640  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.814  -0.991   0.248  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.930  -1.027   0.720  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.454  -1.195  -0.720  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.846  -1.844  -0.769  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.033  -2.875   0.346  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -3.899  -2.248   1.738  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.060  -0.965   1.754  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.157  -2.431  -2.133  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -5.069  -2.031  -2.842  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.358  -3.452  -2.509  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -2.663  -3.695  -1.872  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.913  -3.075  -1.048  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.004  -2.098  -0.541  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.288   2.171   1.074  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.049   2.294  -0.227  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -2.395   2.683  -1.407  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.098   2.789  -2.608  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.465   2.526  -2.640  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.133   2.171  -1.470  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.432   2.066  -0.268  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6