REMARK  Name = BDB029589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.493   0.508  -1.371  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.579   0.257  -0.167  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.470  -0.165   0.558  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.463  -0.209   2.013  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.952   1.111   2.582  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.355   1.090   2.812  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.199   0.756   1.795  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        4.540   0.821   2.206  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        5.593   0.530   1.335  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        5.340   0.172   0.016  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        4.001   0.101  -0.391  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.918   0.383   0.478  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        6.350  -0.164  -0.900  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        6.078  -0.048  -1.872  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        7.631  -0.696  -0.720  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        8.625  -0.522  -1.672  0.00  0.00    +0.137 A 
ATOM     17  N   LIG    1        9.896  -0.970  -1.561  0.00  0.00    -0.242 NA
ATOM     18  C   LIG    1       10.180  -1.615  -0.422  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1        9.325  -1.846   0.584  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        8.069  -1.375   0.404  0.00  0.00    +0.137 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1       -0.831  -0.187  -0.127  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.506   1.195  -0.148  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.030   1.489   1.163  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.926   1.090   1.159  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.664   1.298  -1.165  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.843   0.523  -0.710  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.085   1.295  -0.942  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.345   0.520  -0.620  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.340  -0.886  -0.596  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.525  -1.583  -0.325  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.714  -0.889  -0.104  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.728   0.503  -0.147  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.049  -1.636  -0.799  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.550   1.205  -0.407  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -3.954  -0.762  -1.427  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7