REMARK  Name = BDB023915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.033   4.692  -2.429  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.041   3.817  -1.834  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.370   2.716  -1.093  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.705   1.934  -0.446  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1        0.194   0.608  -0.005  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.852  -0.491   0.584  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1       -0.000  -1.470   0.909  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.202  -1.034   0.474  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.134   0.225  -0.051  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.217   1.083  -0.591  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.742   2.551  -0.568  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        1.227   4.085  -2.024  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.279  -0.558   0.891  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.332  -0.496  -0.071  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.530  -0.585   0.640  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        5.785  -0.547   0.020  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.819  -0.421  -1.371  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.643  -0.345  -2.112  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1        4.207  -0.719   1.972  0.00  0.00    -0.358 N 
ATOM     20  H   LIG    1        4.886  -0.821   2.713  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1        3.396  -0.387  -1.477  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.845  -0.714   2.143  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        2.218  -0.863   3.480  0.00  0.00    +0.064 C 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1       -2.346  -1.915   0.664  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1       -3.151  -2.170  -0.613  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -4.321  -3.092  -0.307  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1       -5.128  -2.535   0.732  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -4.419  -2.417   1.965  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1       -3.247  -1.460   1.816  0.00  0.00    +0.055 C 
ENDBRANCH   8  24
TORSDOF 2