REMARK  Name = BDB014892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.855   4.320   1.224  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.410   3.972   1.473  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.967   2.728   1.042  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.575   2.388   1.393  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.091   1.241   0.580  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.196   0.657   0.467  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.168  -0.370  -0.389  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.105  -0.454  -0.815  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -1.903   0.488  -0.242  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.351   0.725  -0.444  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.876   1.608   0.710  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.666   4.780   2.030  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.474  -1.473  -1.766  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -0.624  -1.506  -3.025  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -0.767  -2.829  -3.574  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -1.310  -3.683  -2.555  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -1.325  -2.894  -1.262  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        1.273   1.130   1.142  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        1.161   1.984   1.675  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.579   0.606   1.271  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.928  -0.686   0.871  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        4.253  -1.127   0.960  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1        5.253  -0.299   1.470  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        4.919   0.989   1.877  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.597   1.438   1.770  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  S   LIG    1        4.644  -2.765   0.406  0.00  0.00    -0.006 S 
ATOM     27  O   LIG    1        3.709  -3.672   1.044  0.00  0.00    -0.170 OA
ATOM     28  O   LIG    1        6.076  -2.952   0.554  0.00  0.00    -0.170 OA
ATOM     29  C   LIG    1        4.293  -2.721  -1.333  0.00  0.00    +0.200 C 
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4