REMARK  Name = BDB012902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.924   0.516  -1.073  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.969   0.614  -2.268  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.363   0.467  -1.691  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        1.467   0.362  -2.517  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.327   0.428  -3.739  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.323   0.669  -0.252  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -1.092   1.162   0.036  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.783   0.191  -1.950  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        3.894   0.361  -2.737  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        3.902   0.601  -3.723  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        5.062   0.193  -2.099  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        4.703  -0.151  -0.858  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        3.292  -0.175  -0.720  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        5.730  -0.455   0.197  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        6.503   0.801   0.606  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        6.692  -1.562  -0.240  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -3.195  -1.329   0.120  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1       -2.247  -0.876  -0.765  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -1.532  -1.573  -0.949  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -3.187  -2.489   0.512  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -4.272   0.081   1.874  0.00  0.00    +0.132 A 
ATOM     22  C   LIG    1       -4.254  -0.405   0.563  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1       -5.274  -0.064  -0.335  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -6.298   0.793   0.076  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.300   1.304   1.377  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.285   0.955   2.275  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -3.705  -1.108   3.769  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -3.251  -0.224   2.735  0.00  0.00    -0.494 OA
ENDBRANCH  21  28
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 5