REMARK  Name = BDB048274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.659   0.620   1.921  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1       -2.484   1.159   1.910  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -2.016   1.896   2.968  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1       -2.816   2.108   4.156  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -0.754   2.431   2.848  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1       -0.175   3.123   3.674  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.166   2.053   1.533  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        1.073   2.424   1.182  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1       -1.282   1.098   0.639  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.030  -1.627  -1.370  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -5.297  -0.255  -1.285  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -4.838   0.488  -0.195  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -4.099  -0.124   0.820  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -3.856  -1.498   0.751  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.313  -2.245  -0.338  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.928  -2.996  -2.273  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -5.540  -2.434  -2.537  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1        1.755   2.095  -0.075  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1        2.934   1.345  -0.038  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.580   1.053  -1.230  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1        3.120   1.473  -2.428  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1        1.984   2.204  -2.440  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        1.275   2.542  -1.303  0.00  0.00    +0.028 A 
BRANCH  20  24
ATOM     24  N   LIG    1        4.756   0.309  -1.328  0.00  0.00    -0.270 N 
ATOM     25  H   LIG    1        5.059   0.204  -2.288  0.00  0.00    +0.156 HD
ATOM     26  C   LIG    1        5.494  -0.268  -0.319  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1        5.241  -0.217   0.879  0.00  0.00    -0.275 OA
BRANCH  26  28
ATOM     28  C   LIG    1        6.715  -0.989  -0.863  0.00  0.00    +0.111 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.478  -1.710   0.241  0.00  0.00    +0.087 C 
BRANCH  29  30
ATOM     30  N   LIG    1        8.654  -2.390  -0.306  0.00  0.00    -0.330 NA
ATOM     31  H   LIG    1        9.326  -1.698  -0.637  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1        9.123  -2.893   0.448  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  20  24
ENDBRANCH   8  18
TORSDOF 7