REMARK  Name = BDB012754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.265  -0.849  -1.752  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.071  -0.571  -1.057  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.225  -1.639  -0.071  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.313  -1.860   0.761  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.476  -2.944   1.318  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.730  -2.712  -0.314  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -1.392  -2.371  -1.643  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -3.772   0.770   0.635  0.00  0.00    +0.123 A 
ATOM      9  C   LIG    1       -2.631   0.107   0.188  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -2.466  -0.131  -1.172  0.00  0.00    +0.050 A 
ATOM     11  N   LIG    1       -3.397   0.257  -2.076  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -4.503   0.899  -1.633  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -5.511   1.316  -2.663  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -4.725   1.176  -0.289  0.00  0.00    +0.068 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -4.984   1.611   2.501  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -3.829   0.958   1.989  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   1  10
BRANCH   4  17
ATOM     17  C   LIG    1        2.252  -0.783   0.934  0.00  0.00    +0.121 A 
ATOM     18  N   LIG    1        1.937   0.508   1.250  0.00  0.00    -0.272 N 
ATOM     19  H   LIG    1        1.016   0.899   1.415  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        2.998   1.324   1.350  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1        4.049   0.510   1.188  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1        3.632  -0.820   0.944  0.00  0.00    +0.057 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.447   1.052   1.279  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        6.206   0.874  -0.038  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1        6.222   0.417   2.435  0.00  0.00    +0.014 C 
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 4