REMARK  Name = BDB063974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.236  -1.874   0.130  0.00  0.00    +0.187 C 
ATOM      2  N   LIG    1        0.271  -3.055   0.549  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.236  -3.846   0.898  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.614  -3.050   0.360  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.415  -3.931   0.596  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.850  -1.696  -0.210  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.076  -1.262  -0.529  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.645  -1.040  -0.333  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.430   0.052  -1.092  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.559   0.132  -1.925  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.936   1.383  -2.445  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.230   2.550  -2.149  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        4.721   3.708  -2.733  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.776   3.417  -3.458  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.110   2.462  -1.302  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.251   1.773  -3.490  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        2.728   1.220  -0.779  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.560  -1.602   0.193  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.782  -0.636  -0.052  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.519  -2.238   1.076  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.791  -1.381   1.285  0.00  0.00    +0.139 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.757  -1.691  -0.886  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -4.271  -0.766   0.078  0.00  0.00    -0.378 OA
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -3.625  -0.295   2.373  0.00  0.00    +0.068 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.520   0.710   2.147  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1       -1.322   0.629   2.870  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -0.293   1.545   2.640  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -0.454   2.552   1.691  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.642   2.646   0.971  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.671   1.731   1.199  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7