REMARK  Name = BDB038852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.809   0.614  -0.222  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -0.439   0.016  -0.016  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -0.774  -1.246   0.424  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -0.106  -1.967   0.659  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -2.137  -1.406   0.487  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.708  -0.213   0.048  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -4.114  -0.114   0.007  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.892  -1.206   0.408  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.290  -2.385   0.842  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.899  -2.509   0.889  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.637   0.677  -0.283  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.584   1.985  -0.787  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -0.321   2.524  -1.003  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1        0.838   1.869  -0.739  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        4.596  -1.242   0.577  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        3.588  -1.269   1.544  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        2.352  -0.664   1.289  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        2.094  -0.028   0.062  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.128   0.004  -0.890  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        4.365  -0.601  -0.641  0.00  0.00    +0.019 A 
BRANCH  15  22
ATOM     21  N   LIG    1        6.882  -2.373   1.053  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        5.862  -1.862   0.838  0.00  0.00    +0.099 C 
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH  13  23
ATOM     23  C   LIG    1       -0.159   3.904  -1.563  0.00  0.00    +0.355 C 
ATOM     24  O   LIG    1        0.886   4.472  -1.825  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  OXT LIG    1       -1.337   4.528  -1.777  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1       -1.062   5.400  -2.133  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  13  23
TORSDOF 4