REMARK  Name = BDB048448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.329   1.232  -1.302  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.734   0.044  -1.925  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.895  -0.615  -1.515  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.688  -0.101  -0.478  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.301   1.110   0.116  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.138   1.770  -0.292  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.891  -0.816  -0.021  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        3.863  -2.111   0.541  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        5.059  -2.768   0.877  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.289  -2.138   0.693  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.333  -0.853   0.165  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.149  -0.202  -0.192  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        2.613  -2.868   0.812  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        2.518  -4.056   0.529  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        1.601  -2.204   1.442  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        1.649  -1.228   1.699  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        0.751  -2.715   1.641  0.00  0.00    +0.145 HD
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -0.947   1.915  -1.733  0.00  0.00    +0.158 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.566   1.184   0.074  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -1.856   2.147  -0.618  0.00  0.00    -0.323 N 
ATOM     21  C   LIG    1       -2.178   3.380  -0.091  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.083   3.089   0.924  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1       -3.625   4.131   1.690  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -3.239   5.447   1.411  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.330   5.719   0.388  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -1.778   4.691  -0.386  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1       -3.306   1.740   1.013  0.00  0.00    -0.232 NA
BRANCH  19  28
ATOM     28  C   LIG    1       -2.460  -0.287  -0.201  0.00  0.00    +0.074 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.578  -1.090   0.465  0.00  0.00    +0.008 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.602  -2.572   0.074  0.00  0.00    +0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -1.332  -3.511  -0.611  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -2.365  -3.370   0.497  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  19  28
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 8