REMARK  Name = BDB014448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.565   1.673  -2.287  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.041   0.468  -1.878  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.569  -0.030  -1.166  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.075   2.517  -2.909  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.042   1.874  -1.945  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.505   0.888  -1.024  0.00  0.00    -0.483 OA
BRANCH   6  10
ATOM      7  C   LIG    1        6.481   0.821   0.235  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        5.572  -0.168   0.603  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        4.247  -0.099   0.161  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        3.823   0.940  -0.669  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        4.742   1.912  -1.063  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        6.068   1.847  -0.617  0.00  0.00    +0.028 A 
BRANCH   7  13
ATOM     13  N   LIG    1        7.847   0.795   0.641  0.00  0.00    -0.221 N 
ATOM     14  H   LIG    1        8.493   1.422   0.163  0.00  0.00    +0.173 HD
BRANCH  13  16
ATOM     15  C   LIG    1        7.448   1.889   3.079  0.00  0.00    +0.218 C 
ATOM     16  S   LIG    1        8.282   0.551   2.245  0.00  0.00    +0.040 S 
ATOM     17  O   LIG    1        9.704   0.824   2.303  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        7.744  -0.702   2.725  0.00  0.00    -0.155 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.386   0.193  -1.934  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.648  -1.317  -1.873  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.107  -1.858  -0.655  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.234  -2.821  -0.691  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.145  -1.676  -2.038  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.104  -0.952  -1.181  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -3.888  -1.227   0.255  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.990  -0.716   1.163  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.249  -0.360   0.654  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.253   0.089   1.523  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.017   0.157   2.895  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.777  -0.215   3.409  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.494  -0.404  -0.831  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -4.769  -0.651   2.548  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.485  -1.303  -1.555  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10