REMARK  Name = BDB039378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.557   1.100  -0.635  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.832   2.113  -0.028  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.235   3.195   0.355  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.458   1.623   0.117  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.413   0.316  -0.356  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.226  -0.398  -0.320  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.059   0.210   0.199  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.154   1.543   0.683  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.355   2.260   0.644  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.760  -0.104  -0.845  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.213  -0.544   0.240  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -1.093  -1.876   0.446  0.00  0.00    -0.251 NA
ATOM     13  C   LIG    1       -2.225  -2.611   0.484  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -2.087  -4.087   0.754  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1       -2.961  -4.892  -0.202  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -4.381  -4.336  -0.370  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -4.665  -3.045   0.405  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -3.510  -2.077   0.319  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1       -3.645  -0.688   0.134  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.460   0.062   0.074  0.00  0.00    +0.033 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.026  -0.073  -0.030  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.198   1.369   0.020  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -4.891   2.065   1.255  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.027   3.519   0.838  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -4.471   3.531  -0.577  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -4.815   2.156  -1.140  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1        9.866  -0.354  -0.825  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        8.739   0.131  -0.799  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1        7.925   0.086  -1.903  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        8.297  -0.419  -2.696  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        6.581   0.379  -1.964  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1        5.929   0.058  -2.954  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1        6.011   1.147  -0.760  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        6.683   0.655   0.523  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1        8.188   0.835   0.417  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 4