REMARK  Name = BDB003176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.903  -0.395  -0.104  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        1.440  -0.829   1.116  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.825  -0.897   1.347  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.724  -0.534   0.352  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        3.215  -0.101  -0.873  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.831  -0.035  -1.092  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -3.376  -0.132  -0.809  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1       -2.750  -1.339  -0.218  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1       -1.425  -1.052   0.525  0.00  0.00    +0.124 C 
ATOM     10  N   LIG    1       -0.461  -0.331  -0.327  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1       -1.033   0.550  -1.364  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1       -2.457   1.016  -0.988  0.00  0.00    +0.124 C 
BRANCH   7  15
ATOM     13  C   LIG    1       -5.650   0.173  -2.541  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -5.731   0.426  -1.060  0.00  0.00    -0.029 A 
ATOM     15  C   LIG    1       -4.601   0.256  -0.235  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -4.729   0.506   1.142  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -5.947   0.910   1.692  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -7.058   1.077   0.872  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.951   0.838  -0.497  0.00  0.00    +0.005 A 
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  N   LIG    1        5.128  -0.570   0.490  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        5.642  -0.278  -0.341  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        5.849  -0.937   1.593  0.00  0.00    +0.241 C 
ATOM     23  O   LIG    1        5.405  -1.332   2.667  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        7.338  -0.898   1.468  0.00  0.00    +0.074 C 
ATOM     25  C   LIG    1        8.166  -0.172   0.704  0.00  0.00    +0.096 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.764   0.790  -0.329  0.00  0.00    +0.330 C 
ATOM     27  O   LIG    1        6.855   0.598  -1.117  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        8.531   1.893  -0.316  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        9.156   1.959   0.430  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  22  24
ENDBRANCH   4  20
TORSDOF 6