REMARK  Name = BDB029595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.086   0.126  -0.493  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        3.717   0.305  -0.225  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.677  -0.066  -1.122  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.294   0.192  -0.585  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1        0.132  -0.196  -1.246  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1        0.110  -1.081  -2.397  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1        0.989  -0.542  -3.502  0.00  0.00    +0.248 C 
ATOM      8  O   LIG    1        2.296  -1.072  -3.381  0.00  0.00    -0.490 OA
ATOM      9  O   LIG    1        1.206   0.769   0.504  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.059  -0.629  -2.342  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1        4.424  -0.834  -2.609  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.420  -0.463  -1.705  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        6.019   0.527   0.476  0.00  0.00    -0.268 N 
ATOM     14  H   LIG    1        5.626   0.982   1.289  0.00  0.00    +0.157 HD
BRANCH  13  18
ATOM     15  C   LIG    1       10.320   1.169   2.209  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        9.314   0.726   1.230  0.00  0.00    +0.216 A 
ATOM     17  O   LIG    1        8.001   0.956   1.535  0.00  0.00    -0.410 OA
ATOM     18  C   LIG    1        7.359   0.434   0.441  0.00  0.00    +0.312 A 
ATOM     19  N   LIG    1        8.207  -0.062  -0.436  0.00  0.00    -0.092 NA
ATOM     20  N   LIG    1        9.475   0.126   0.073  0.00  0.00    -0.111 NA
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -1.148  -0.011  -0.536  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.435  -1.147   0.463  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.720  -2.369  -0.236  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -1.809  -3.065   0.436  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.577  -0.786   1.448  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.803  -0.207   0.859  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.669   0.312   1.940  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.021   0.802   1.470  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.553   0.382   0.239  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.822   0.823  -0.160  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.571   1.656   0.670  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.056   2.059   1.900  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.729  -0.484  -0.675  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.789   1.633   2.300  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.560  -1.172   0.046  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7