REMARK  Name = BDB060945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.384  -2.722  -0.391  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.018  -2.420   0.186  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        0.371  -1.107  -0.017  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -0.318  -0.505  -0.460  0.00  0.00    +0.155 HD
ATOM      5  O   LIG    1        0.629  -3.308   0.732  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1        1.577  -0.479   0.368  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.725   0.906   0.134  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1        0.640   1.737  -0.501  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1        2.920   1.548   0.509  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        3.963   0.843   1.119  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        5.243   1.534   1.483  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.812  -0.527   1.331  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        2.631  -1.179   0.964  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     14  C   LIG    1       -3.149  -1.981   1.349  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -2.426  -1.722   0.052  0.00  0.00    +0.045 C 
ATOM     16  N   LIG    1       -2.556  -0.655  -0.682  0.00  0.00    -0.180 NA
BRANCH  16  17
ATOM     17  N   LIG    1       -3.410   0.316  -0.256  0.00  0.00    -0.247 N 
ATOM     18  H   LIG    1       -3.952   0.229   0.600  0.00  0.00    +0.192 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.624   1.507  -0.882  0.00  0.00    +0.208 C 
ATOM     20  N   LIG    1       -4.456   2.377  -0.431  0.00  0.00    -0.267 NA
ATOM     21  H   LIG    1       -4.426   3.200  -1.037  0.00  0.00    +0.190 HD
BRANCH  19  22
ATOM     22  N   LIG    1       -2.900   1.688  -2.009  0.00  0.00    -0.369 N 
ATOM     23  H   LIG    1       -2.585   0.787  -2.361  0.00  0.00    +0.159 HD
ATOM     24  H   LIG    1       -3.348   2.246  -2.723  0.00  0.00    +0.159 HD
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  15
TORSDOF 6