REMARK  Name = BDB012103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.052  -0.237  -0.420  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        1.893  -0.344   0.574  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.946  -0.025  -1.215  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.947  -0.253  -2.420  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.244   0.473  -0.505  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.620   0.348  -0.967  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.988  -0.345  -2.247  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -2.522   0.934  -0.082  0.00  0.00    +0.010 A 
ATOM      9  S   LIG    1       -1.721   1.630   1.268  0.00  0.00    -0.099 S 
ATOM     10  C   LIG    1       -0.192   1.164   0.692  0.00  0.00    +0.058 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -4.048   1.055  -0.151  0.00  0.00    +0.091 C 
ATOM     12  C   LIG    1       -4.391   2.022  -1.303  0.00  0.00    +0.030 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -4.708  -0.268  -0.279  0.00  0.00    -0.291 NA
ATOM     14  C   LIG    1       -6.186  -0.210  -0.325  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -6.863  -0.560   1.010  0.00  0.00    +0.175 C 
ATOM     16  O   LIG    1       -6.556  -1.883   1.467  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -5.281  -2.348   1.006  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1       -4.278  -1.204   0.793  0.00  0.00    +0.113 C 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1        3.219  -0.912  -0.942  0.00  0.00    +0.145 C 
BRANCH  19  26
ATOM     20  C   LIG    1        7.871   0.384   2.296  0.00  0.00    +0.063 C 
ATOM     21  C   LIG    1        6.698   0.129   1.402  0.00  0.00    +0.016 A 
ATOM     22  N   LIG    1        5.740  -0.743   1.857  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1        5.838  -1.174   2.768  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        4.601  -1.072   1.169  0.00  0.00    +0.254 A 
ATOM     25  O   LIG    1        3.756  -1.821   1.651  0.00  0.00    -0.268 OA
ATOM     26  C   LIG    1        4.430  -0.454  -0.186  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        5.372   0.411  -0.625  0.00  0.00    -0.039 A 
ATOM     28  C   LIG    1        5.333   1.141  -1.939  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        6.535   0.705   0.202  0.00  0.00    +0.024 A 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5