REMARK  Name = BDB002438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.361  -3.049   2.161  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1        0.368  -2.897   3.600  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        0.291  -4.359   1.550  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   7
ATOM      4  N   LIG    1        3.645  -0.535   0.230  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        3.436  -0.444   1.699  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1        2.004  -0.885   2.069  0.00  0.00    +0.128 C 
ATOM      7  N   LIG    1        1.720  -2.253   1.541  0.00  0.00    -0.174 NA
ATOM      8  C   LIG    1        1.932  -2.322   0.065  0.00  0.00    +0.128 C 
ATOM      9  C   LIG    1        3.371  -1.896  -0.288  0.00  0.00    +0.122 C 
BRANCH   4  13
ATOM     10  C   LIG    1        7.149   1.498  -1.047  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        7.048   0.116  -1.201  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        5.900  -0.573  -0.788  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.823   0.099  -0.198  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.940   1.492  -0.060  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        6.085   2.187  -0.475  0.00  0.00    +0.047 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.464   3.451  -1.357  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        8.320   2.043  -1.493  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   4  13
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.010  -2.098   1.532  0.00  0.00    +0.106 A 
ATOM     19  C   LIG    1       -1.517  -1.035   2.285  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -2.606  -0.308   1.801  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -3.206  -0.659   0.583  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -2.698  -1.734  -0.161  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -1.606  -2.462   0.319  0.00  0.00    +0.029 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.361   0.150   0.106  0.00  0.00    +0.244 C 
ATOM     25  N   LIG    1       -5.307  -0.525  -0.638  0.00  0.00    -0.308 N 
ATOM     26  H   LIG    1       -5.264  -1.534  -0.665  0.00  0.00    +0.149 HD
ATOM     27  O   LIG    1       -4.434   1.334   0.410  0.00  0.00    -0.270 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -6.525   0.088  -1.138  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1       -6.287   1.215  -2.151  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1       -7.443   2.176  -1.920  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -7.623   2.143  -0.411  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -7.436   0.673  -0.047  0.00  0.00    +0.022 C 
ENDBRANCH  25  28
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 6