REMARK  Name = BDB032900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.337  -0.941   0.654  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        1.057  -0.019  -0.065  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.553   0.711  -0.554  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.812  -1.875   1.294  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.862   0.245  -0.040  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1       -1.164  -0.774   0.645  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1       -1.896  -1.724   1.385  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.288  -1.672   1.450  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.970  -0.668   0.776  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.264   0.284   0.036  0.00  0.00    +0.046 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -1.824   2.189  -1.446  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.126   1.158  -0.753  0.00  0.00    -0.494 OA
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  13
ATOM     13  C   LIG    1        2.416   0.057  -0.220  0.00  0.00    +0.167 A 
ATOM     14  S   LIG    1        3.501  -1.047   0.497  0.00  0.00    -0.030 S 
ATOM     15  C   LIG    1        4.802  -0.208  -0.204  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.335   0.857  -0.939  0.00  0.00    +0.152 A 
ATOM     17  N   LIG    1        2.958   1.009  -0.947  0.00  0.00    -0.231 NA
BRANCH  15  18
ATOM     18  N   LIG    1        6.233  -0.526  -0.081  0.00  0.00    -0.022 NA
ATOM     19  O   LIG    1        6.494  -1.514   0.613  0.00  0.00    -0.143 OA
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 4