REMARK  Name = BDB063893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.988   1.904  -0.321  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -1.024   3.180   0.122  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.821   3.789   0.153  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.233   3.569   0.453  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.612   4.646   0.867  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.026   2.341   0.174  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.349   2.291   0.374  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.190   1.358  -0.308  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.230   1.138   0.123  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.815  -0.183   0.351  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.723  -1.232   0.121  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.029  -0.997  -0.313  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.809  -2.128  -0.495  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.102  -3.196  -0.205  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.441   0.333  -0.520  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.489  -2.931   0.300  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.542   1.384  -0.296  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -2.150   1.324  -0.723  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -2.975   1.678  -0.248  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.393  -0.844   0.459  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -2.227  -0.122  -0.891  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.484  -0.517  -1.671  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.896  -1.885  -1.123  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -2.927  -2.204   0.017  0.00  0.00    +0.033 C 
BRANCH  20  26
ATOM     25  C   LIG    1       -3.294  -0.495   2.631  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1       -3.373  -0.151   1.253  0.00  0.00    -0.378 OA
ENDBRANCH  20  26
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4