REMARK  Name = BDB037021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.604  -1.228  -2.777  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.065  -1.456  -1.487  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.913  -0.628  -0.631  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -2.071  -1.300   0.550  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -1.325  -2.444   0.571  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -1.137  -3.217   1.490  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.340   0.466  -0.953  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.701  -2.567  -0.744  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        0.143  -3.537  -1.242  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.610  -3.358  -2.545  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.237  -2.223  -3.301  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.780  -0.734   1.691  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -1.760  -0.268   2.732  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -0.765   0.400   2.442  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -1.993  -0.638   4.031  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -1.328  -0.288   4.709  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -2.674  -1.750   4.447  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -2.578  -2.145   5.605  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.476  -2.494   3.409  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.902  -1.603   2.257  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -1.009  -0.109  -3.515  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1       -1.589   0.516  -2.943  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.046   0.672  -4.191  0.00  0.00    +0.160 C 
BRANCH  23  27
ATOM     24  N   LIG    1        2.242   2.268  -1.721  0.00  0.00    -0.200 N 
ATOM     25  N   LIG    1        2.970   2.307  -2.871  0.00  0.00    -0.059 NA
ATOM     26  N   LIG    1        2.271   1.731  -3.841  0.00  0.00    -0.133 NA
ATOM     27  C   LIG    1        1.062   1.352  -3.330  0.00  0.00    +0.100 A 
ATOM     28  C   LIG    1        1.012   1.706  -1.998  0.00  0.00    +0.143 A 
BRANCH  24  32
ATOM     29  C   LIG    1        5.237   4.071   1.522  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        4.020   3.496   1.002  0.00  0.00    -0.272 N 
ATOM     31  N   LIG    1        3.912   3.265  -0.318  0.00  0.00    -0.152 NA
ATOM     32  C   LIG    1        2.701   2.705  -0.443  0.00  0.00    +0.177 A 
ATOM     33  C   LIG    1        2.030   2.603   0.793  0.00  0.00    +0.069 A 
ATOM     34  C   LIG    1        2.920   3.113   1.712  0.00  0.00    +0.110 A 
ENDBRANCH  24  32
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5