REMARK  Name = BDB056046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.451  -2.008  -1.262  0.00  0.00    +0.249 A 
ATOM      2  O   LIG    1       -1.274  -0.946  -1.512  0.00  0.00    -0.411 OA
ATOM      3  C   LIG    1       -1.559  -1.108  -2.839  0.00  0.00    +0.278 A 
ATOM      4  N   LIG    1       -0.998  -2.187  -3.345  0.00  0.00    -0.101 NA
ATOM      5  N   LIG    1       -0.280  -2.776  -2.318  0.00  0.00    -0.106 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        0.540  -1.174   2.260  0.00  0.00    +0.126 A 
ATOM      7  N   LIG    1        1.242  -2.261   2.623  0.00  0.00    -0.240 NA
ATOM      8  C   LIG    1        1.379  -3.259   1.724  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        0.840  -3.225   0.452  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.111  -2.100   0.076  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -0.042  -1.061   1.004  0.00  0.00    +0.057 A 
BRANCH   6  14
ATOM     12  C   LIG    1        1.649  -0.990   5.085  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        0.834   0.074   4.404  0.00  0.00    +0.215 C 
ATOM     14  N   LIG    1        0.373  -0.099   3.135  0.00  0.00    -0.271 N 
ATOM     15  H   LIG    1       -0.160   0.695   2.807  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1        0.566   1.132   4.981  0.00  0.00    -0.276 OA
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  S   LIG    1       -2.519   0.024  -3.733  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.323   1.383  -3.885  0.00  0.00    +0.114 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.892   1.978  -2.564  0.00  0.00    -0.037 A 
ATOM     20  C   LIG    1        0.432   1.836  -2.120  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        0.833   2.374  -0.896  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -0.083   3.060  -0.101  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.400   3.211  -0.530  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.803   2.678  -1.757  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5