REMARK  Name = BDB015399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.871  -1.560  -0.600  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.557  -2.047  -0.719  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.461  -3.340  -0.716  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -1.845  -3.867  -0.655  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -2.757  -2.696  -0.302  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.493  -1.177  -0.764  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        0.575  -0.030   0.153  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        1.920  -0.002   0.910  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.129   0.065   0.050  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.850  -0.573  -1.265  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.799  -1.698  -1.202  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.530   1.476  -0.154  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        4.908   1.562  -0.869  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.590   1.500   0.509  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        4.263   1.992   1.117  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -3.600  -0.733  -2.310  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -2.548  -0.263  -1.433  0.00  0.00    +0.079 S 
ATOM     18  O   LIG    1       -1.505   0.588  -1.972  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.312   0.675  -0.146  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1       -4.479   0.262   0.537  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1       -5.081   1.152   1.606  0.00  0.00    +0.102 A 
ATOM     22  N   LIG    1       -6.181   0.637   2.173  0.00  0.00    -0.191 NA
ATOM     23  S   LIG    1       -6.460  -0.817   1.429  0.00  0.00    +0.117 S 
ATOM     24  C   LIG    1       -4.499   2.398   1.938  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1       -3.349   2.759   1.220  0.00  0.00    +0.004 A 
ATOM     26  N   LIG    1       -5.176  -0.876   0.383  0.00  0.00    -0.189 NA
ATOM     27  C   LIG    1       -2.782   1.937   0.219  0.00  0.00    +0.031 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4