REMARK  Name = BDB019599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.126  -0.643  -0.600  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.179  -1.877  -0.014  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.241  -2.002   0.894  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.996  -0.858   1.205  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.715   0.386   0.617  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -0.646   0.483  -0.288  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.556  -3.296   1.511  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.151  -4.362   0.808  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.507  -4.257  -0.649  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -2.395  -5.565   1.485  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -2.065  -5.663   2.827  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -1.510  -4.662   3.536  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -1.266  -3.513   2.862  0.00  0.00    +0.119 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     14  N   LIG    1        1.899   0.628  -1.694  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        1.730   1.346  -1.004  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        1.256  -0.585  -1.569  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        1.589  -1.591  -2.184  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1        3.088   0.764  -2.505  0.00  0.00    +0.141 C 
BRANCH  18  23
ATOM     19  C   LIG    1        7.801   0.250   0.758  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        6.577   0.422  -0.089  0.00  0.00    +0.038 A 
ATOM     21  N   LIG    1        5.949  -0.700  -0.508  0.00  0.00    -0.260 NA
ATOM     22  C   LIG    1        4.845  -0.549  -1.277  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1        4.327   0.682  -1.664  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1        4.988   1.825  -1.211  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.127   1.697  -0.418  0.00  0.00    +0.023 A 
ENDBRANCH  18  23
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -2.544   1.601   0.962  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.108   2.173  -0.245  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1       -3.518   1.462  -0.846  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.929   3.243  -0.207  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1       -3.607   4.264   0.627  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1       -2.618   4.478   0.634  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -4.465   5.378   0.276  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1       -5.553   4.681  -0.548  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1       -4.992   3.361  -0.948  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7