REMARK  Name = BDB012904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.756   1.277  -1.998  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.615   0.824  -1.462  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.547   1.052  -2.559  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.930   1.080  -2.529  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -3.555   1.459  -3.522  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.838   1.455  -3.759  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        0.607   1.065  -3.504  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.650   0.674  -1.344  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -5.009   0.857  -1.282  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -5.593   1.264  -2.006  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -5.579   0.449  -0.139  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.557  -0.041   0.570  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.337   0.069  -0.142  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.766  -0.622   1.940  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -5.296   0.422   2.925  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.683  -1.846   1.906  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        2.133   0.544  -0.097  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        1.895   0.555  -1.458  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        2.698   0.442  -2.063  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        1.354   1.014   0.724  0.00  0.00    -0.270 OA
BRANCH  17  24
ATOM     21  C   LIG    1        5.855  -1.119   1.269  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        5.297  -1.556   0.063  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.087  -1.031  -0.399  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        3.425  -0.049   0.346  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        3.974   0.378   1.561  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        5.186  -0.151   2.019  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1        7.639  -1.323   2.827  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        7.040  -1.715   1.597  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  17  24
ENDBRANCH   1  18
TORSDOF 5