REMARK  Name = BDB024768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.949  -2.752  -0.625  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.218  -2.135   0.407  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.770  -2.095   1.784  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -4.777  -3.495   2.426  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.033  -1.157   2.754  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -3.617   0.117   2.055  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.701  -0.268   0.931  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.541   0.475   0.631  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -1.028   1.581   1.268  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.068   1.909   0.613  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1        0.287   1.034  -0.430  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -0.735   0.111  -0.439  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.022  -0.985  -1.252  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.179  -1.716  -0.948  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.026  -1.380   0.119  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -4.627  -2.818  -1.806  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -6.931  -3.886  -1.195  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -6.137  -3.266  -0.182  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        1.405   1.054  -1.359  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.531   0.112  -0.906  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.749   0.190  -1.737  0.00  0.00    -0.300 NA
ATOM     22  C   LIG    1        4.852  -0.591  -1.150  0.00  0.00    +0.087 C 
ATOM     23  C   LIG    1        5.060  -1.943  -1.821  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        5.403  -1.767  -3.300  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1        4.751  -0.526  -3.908  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        3.480  -0.153  -3.146  0.00  0.00    +0.087 C 
BRANCH  24  27
ATOM     27  O   LIG    1        4.970  -2.922  -4.018  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1        5.452  -3.688  -3.660  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  29
ATOM     29  C   LIG    1        0.977   3.047   0.951  0.00  0.00    +0.097 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.465   3.845   2.147  0.00  0.00    +0.151 C 
BRANCH  30  31
ATOM     31  N   LIG    1        1.413   4.867   2.550  0.00  0.00    -0.271 N 
ATOM     32  N   LIG    1        1.639   5.928   1.752  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1        2.540   6.646   2.427  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        2.902   6.041   3.645  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        2.155   4.888   3.697  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 8