REMARK  Name = BDB048257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.639   1.877   0.687  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        3.474   2.218   1.132  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1        3.251   3.441   1.712  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1        4.309   4.418   1.849  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        1.972   3.700   2.152  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        1.580   4.728   2.687  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.096   2.526   1.883  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1       -0.205   2.534   2.204  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1        1.996   1.280   1.116  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.248  -1.903  -1.074  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        5.458  -1.716   0.298  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        5.251  -0.462   0.880  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.825   0.617   0.104  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        4.643   0.440  -1.269  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.848  -0.812  -1.855  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.924  -3.407  -2.180  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        5.487  -3.250  -1.707  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1       -1.167   1.450   1.972  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -2.286   1.686   1.171  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.218   0.668   0.959  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -3.056  -0.550   1.515  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -1.976  -0.760   2.297  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -1.016   0.199   2.560  0.00  0.00    +0.028 A 
BRANCH  20  24
ATOM     24  N   LIG    1       -4.325   0.961   0.126  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1       -4.740   1.839   0.416  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.291   0.082  -0.410  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -6.520   0.606  -0.842  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -7.488  -0.209  -1.439  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -7.243  -1.572  -1.635  0.00  0.00    -0.022 A 
ATOM     30  C   LIG    1       -6.004  -2.093  -1.252  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -5.040  -1.272  -0.656  0.00  0.00    +0.023 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -8.270  -2.442  -2.305  0.00  0.00    +0.191 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -8.181  -2.321  -3.718  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -7.356  -1.848  -3.922  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH   8  18
TORSDOF 7