REMARK  Name = BDB034871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.889  -0.888   0.378  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -2.526   0.488  -0.172  0.00  0.00    +0.126 C 
ATOM      3  N   LIG    1       -1.126   0.845   0.131  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -0.080  -0.002  -0.248  0.00  0.00    +0.154 C 
ATOM      5  N   LIG    1        1.021   0.422  -0.791  0.00  0.00    -0.155 NA
ATOM      6  S   LIG    1       -0.296  -1.708   0.201  0.00  0.00    -0.092 S 
ATOM      7  C   LIG    1       -2.018  -1.946  -0.277  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.986   2.261   0.011  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -1.236   3.064   1.135  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -1.139   4.454   1.055  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.794   5.059  -0.152  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -0.547   4.275  -1.278  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -0.646   2.884  -1.198  0.00  0.00    +0.023 A 
ENDBRANCH   3   8
BRANCH   1  17
ATOM     14  C   LIG    1       -6.223  -2.675   0.639  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -4.834  -2.299   0.750  0.00  0.00    -0.318 N 
ATOM     16  H   LIG    1       -4.305  -2.684   1.523  0.00  0.00    +0.148 HD
ATOM     17  C   LIG    1       -4.349  -1.189   0.090  0.00  0.00    +0.218 C 
ATOM     18  O   LIG    1       -5.031  -0.511  -0.671  0.00  0.00    -0.275 OA
ENDBRANCH   1  17
BRANCH   5  19
ATOM     19  C   LIG    1        1.999  -0.469  -1.134  0.00  0.00    +0.271 C 
ATOM     20  O   LIG    1        1.929  -1.232  -2.091  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.178  -0.371  -0.274  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        4.362  -1.177  -0.335  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        5.215  -0.736   0.671  0.00  0.00    +0.139 A 
ATOM     24  N   LIG    1        6.437  -1.207   0.980  0.00  0.00    -0.237 NA
ATOM     25  C   LIG    1        6.824  -2.228   0.182  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1        6.080  -2.771  -0.858  0.00  0.00    +0.020 A 
ATOM     27  N   LIG    1        4.601   0.293   1.325  0.00  0.00    -0.345 N 
ATOM     28  H   LIG    1        5.019   0.790   2.098  0.00  0.00    +0.167 HD
ATOM     29  C   LIG    1        4.818  -2.243  -1.133  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        3.371   0.526   0.771  0.00  0.00    +0.098 A 
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 4