REMARK  Name = BDB032248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.455  -1.619   0.337  0.00  0.00    +0.121 A 
ATOM      2  N   LIG    1       -0.914  -2.545   1.157  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.375  -2.912   0.967  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        1.204  -2.409  -0.027  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.629  -1.481  -0.891  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.698  -1.086  -0.705  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.387   0.346   1.207  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1       -3.265   0.077   0.188  0.00  0.00    +0.112 C 
ATOM      9  N   LIG    1       -2.772  -1.256   0.529  0.00  0.00    -0.315 N 
ATOM     10  C   LIG    1       -3.478  -1.803   1.682  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -4.811  -1.062   1.641  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     12  C   LIG    1       -4.963   2.652   0.346  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -5.521   1.275   0.728  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -6.356   0.727  -0.435  0.00  0.00    +0.041 C 
BRANCH  13  15
ATOM     15  O   LIG    1       -6.410   1.497   1.831  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -6.881   0.667   2.017  0.00  0.00    +0.210 HD
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1        2.610  -2.934  -0.148  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.527  -2.061  -0.875  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1        3.293  -2.001  -1.859  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.001  -0.842  -0.362  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.822   0.003  -1.178  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        5.312   1.228  -0.660  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.103   2.042  -1.501  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1        6.417   1.731  -2.771  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        5.960   0.557  -3.239  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1        4.997   1.585   0.666  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        4.250   0.741   1.478  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.186  -0.321  -2.500  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        3.775  -0.465   0.972  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  N   LIG    1        6.636   3.261  -1.065  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        7.215   3.119  -0.245  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        7.185   3.617  -1.845  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7