REMARK  Name = BDB063705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.998  -0.667  -1.609  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.545   0.052  -1.053  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.178  -1.628  -2.160  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -0.633  -2.564  -2.814  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -4.529  -1.478   1.901  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -3.735  -2.761   1.659  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -2.287  -2.569   0.562  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.228  -1.670  -0.692  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -3.694  -0.454  -0.067  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -3.268   0.404  -1.014  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -3.421   1.590  -1.177  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -2.474  -0.757  -1.706  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -4.429  -0.407   1.073  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -5.641  -2.488   3.916  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -5.374  -1.458   3.102  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -5.083   0.888   1.385  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -6.273   1.133   1.303  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -4.180   1.797   1.794  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -4.692   2.630   1.863  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        1.230  -1.431  -1.896  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        1.630  -0.351  -1.150  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        2.992  -0.401  -1.060  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        3.468  -1.510  -1.729  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        2.337  -2.168  -2.268  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        3.651   0.684  -0.286  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.692   1.203  -1.114  0.00  0.00    -0.483 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.442   2.218  -0.596  0.00  0.00    +0.139 A 
ATOM     28  C   LIG    1        6.441   2.721  -1.424  0.00  0.00    +0.156 A 
ATOM     29  N   LIG    1        7.287   3.725  -1.087  0.00  0.00    -0.260 NA
ATOM     30  C   LIG    1        7.126   4.258   0.141  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        6.161   3.833   1.040  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        5.307   2.795   0.664  0.00  0.00    +0.049 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8