REMARK  Name = BDB032895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.339  -0.189   0.565  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.423  -0.306  -0.275  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.298  -0.586  -1.236  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.323   0.271   1.702  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.116   0.135   0.104  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -0.946  -0.650  -0.034  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.974  -1.889  -0.699  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.154  -2.341  -1.284  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.300  -1.556  -1.210  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.277  -0.331  -0.534  0.00  0.00    +0.023 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -3.276   1.948   1.305  0.00  0.00    +0.125 C 
ATOM     12  N   LIG    1       -2.063   1.400   0.721  0.00  0.00    -0.346 N 
ATOM     13  H   LIG    1       -1.287   1.417   1.398  0.00  0.00    +0.146 HD
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        2.685   0.058   0.103  0.00  0.00    +0.167 A 
ATOM     15  S   LIG    1        3.846  -0.085  -1.143  0.00  0.00    -0.030 S 
ATOM     16  C   LIG    1        5.038   0.474  -0.059  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1        4.478   0.726   1.172  0.00  0.00    +0.152 A 
ATOM     18  N   LIG    1        3.120   0.480   1.263  0.00  0.00    -0.231 NA
BRANCH  16  19
ATOM     19  N   LIG    1        6.466   0.671  -0.348  0.00  0.00    -0.022 NA
ATOM     20  O   LIG    1        6.812   0.386  -1.500  0.00  0.00    -0.143 OA
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 4