REMARK  Name = BDB030239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.284   0.297  -2.011  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.066   0.185  -1.711  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.734   0.664  -0.507  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -2.169   0.284  -0.697  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1       -2.591  -1.169  -0.778  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.311  -0.363  -2.030  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.972  -0.398  -2.688  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        1.724  -0.105  -3.090  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.969  -1.554  -0.453  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -4.538  -1.356   0.895  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -5.997  -1.594   0.544  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1       -6.750  -0.292   0.260  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -6.714  -2.406   1.618  0.00  0.00    +0.058 C 
ATOM     14  O   LIG    1       -5.965  -2.374  -0.669  0.00  0.00    -0.387 OA
ATOM     15  N   LIG    1       -4.730  -2.129  -1.321  0.00  0.00    -0.093 NA
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1        4.019   1.638  -0.035  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1        3.557   1.043  -1.179  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        2.189   0.905  -1.018  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1        1.827   1.429   0.214  0.00  0.00    -0.231 NA
ATOM     20  C   LIG    1        2.938   1.853   0.771  0.00  0.00    +0.200 A 
BRANCH  16  22
ATOM     21  C   LIG    1        5.590   3.313   0.982  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        5.411   1.991   0.232  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.151   0.851   0.894  0.00  0.00    +0.101 A 
ATOM     24  S   LIG    1        5.649   0.188   2.408  0.00  0.00    -0.079 S 
ATOM     25  C   LIG    1        6.951  -0.922   2.348  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        7.690  -0.710   1.206  0.00  0.00    +0.119 A 
ATOM     27  N   LIG    1        7.240   0.306   0.387  0.00  0.00    -0.250 NA
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4