REMARK  Name = BDB003487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.475  -1.198  -0.199  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        3.106  -1.634  -0.127  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        2.997  -3.007  -0.135  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1        1.858  -3.738  -0.081  0.00  0.00    -0.220 NA
ATOM      5  C   LIG    1        0.755  -3.048  -0.016  0.00  0.00    +0.167 A 
ATOM      6  N   LIG    1        0.708  -1.652  -0.003  0.00  0.00    -0.175 N 
ATOM      7  N   LIG    1       -0.475  -0.948   0.039  0.00  0.00    -0.146 NA
ATOM      8  C   LIG    1       -1.625  -1.556   0.081  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -1.717  -3.036   0.128  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.940  -3.711   0.261  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -2.972  -5.107   0.291  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.788  -5.834   0.198  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.570  -5.165   0.087  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.535  -3.762   0.059  0.00  0.00    +0.030 A 
ATOM     15  S   LIG    1        4.516  -3.776  -0.224  0.00  0.00    -0.076 S 
ATOM     16  C   LIG    1        1.875  -0.858  -0.065  0.00  0.00    +0.284 A 
ATOM     17  O   LIG    1        1.878   0.372  -0.071  0.00  0.00    -0.265 OA
ATOM     18  C   LIG    1        5.338  -2.279  -0.252  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   1  23
ATOM     19  C   LIG    1        6.615   4.162  -0.205  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        6.083   2.760  -0.192  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        5.304   2.308   0.879  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.775   1.014   0.877  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.008   0.158  -0.204  0.00  0.00    -0.017 A 
ATOM     24  C   LIG    1        5.774   0.613  -1.284  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        6.303   1.907  -1.280  0.00  0.00    +0.004 A 
ENDBRANCH   1  23
BRANCH   8  26
ATOM     26  N   LIG    1       -2.788  -0.804   0.076  0.00  0.00    -0.327 N 
ATOM     27  H   LIG    1       -3.590  -1.233  -0.371  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -2.746   0.646  -0.094  0.00  0.00    +0.104 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.144   1.230   0.114  0.00  0.00    +0.034 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.119   2.756  -0.042  0.00  0.00    +0.085 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -5.399   3.455   0.129  0.00  0.00    -0.308 NA
ATOM     32  C   LIG    1       -5.941   3.331   1.479  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1       -6.393   3.089  -0.874  0.00  0.00    +0.104 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   8  26
TORSDOF 6