REMARK  Name = BDB063921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.374  -0.553   0.618  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.669  -1.060   1.836  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.546  -1.432   2.144  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.467  -1.119   2.575  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.615  -1.543   3.703  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.479  -0.543   1.649  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.764  -0.409   2.000  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.873  -0.227   0.452  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.856   0.129   1.172  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.149  -0.386   1.369  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.214   0.137   0.613  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.027   1.161  -0.318  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.168   1.576  -0.985  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.197   0.874  -0.567  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.731   1.680  -0.495  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.880  -0.305   0.633  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.664   1.164   0.253  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.314  -0.404  -0.350  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -0.904   0.093  -1.147  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.679   0.059  -0.101  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.179   0.890  -1.307  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.203   1.848  -1.740  0.00  0.00    -0.378 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -1.099   3.947  -1.503  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1       -2.113   2.996  -0.899  0.00  0.00    +0.156 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -3.639  -1.092   0.256  0.00  0.00    +0.027 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.411  -2.469  -0.407  0.00  0.00    -0.015 C 
ATOM     27  C   LIG    1       -4.419  -3.477   0.157  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.518  -2.444  -1.930  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 8