REMARK  Name = BDB063919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.251   1.253   0.381  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.410   2.535  -0.005  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        1.265   3.067   0.081  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.794   3.044  -0.365  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -1.075   4.167  -0.730  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.695   1.871  -0.180  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -3.006   1.940  -0.440  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.965   0.803   0.302  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.993   0.860  -0.277  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.682  -0.483  -0.544  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.687  -1.456  -0.399  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.987  -1.125  -0.011  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.869  -2.190   0.089  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -6.244  -3.303  -0.219  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -6.292   0.226   0.237  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -4.592  -3.161  -0.643  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -5.296   1.202   0.097  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        1.287   0.510   0.856  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1        0.897  -0.360   1.211  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.518   0.246   0.092  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.199   1.526  -0.465  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1        3.988   2.625   1.508  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1        3.141   2.687   0.370  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1        3.490  -0.571   0.981  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.429  -2.109   0.827  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1        2.052  -2.699   1.122  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1        3.926  -2.570  -0.545  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7