REMARK  Name = BDB004092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.053   0.773   0.011  0.00  0.00    -0.307 N 
ATOM      2  C   LIG    1        0.672   1.046   1.362  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.127  -0.270   1.333  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1       -1.671  -0.176   1.143  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -2.291   0.398   0.256  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -2.259  -0.888   2.158  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -1.355  -1.547   2.956  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -1.619  -2.305   3.877  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        0.049  -1.184   2.537  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1        0.724  -0.618   0.098  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.808   0.929  -3.051  0.00  0.00    +0.146 A 
ATOM     12  C   LIG    1        3.861   1.328  -2.069  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1        3.962   2.620  -1.543  0.00  0.00    +0.044 A 
ATOM     14  S   LIG    1        2.712   2.866  -0.388  0.00  0.00    -0.052 S 
ATOM     15  C   LIG    1        2.133   1.264  -0.646  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        4.960   3.524  -1.948  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        5.882   3.108  -2.907  0.00  0.00    +0.005 A 
ATOM     18  N   LIG    1        2.814   0.581  -1.538  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        5.809   1.830  -3.449  0.00  0.00    +0.048 A 
BRANCH  11  21
ATOM     20  C   LIG    1        3.830  -1.214  -3.436  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        4.889  -0.302  -3.696  0.00  0.00    -0.493 OA
ENDBRANCH  11  21
ENDBRANCH   1  15
BRANCH   6  22
ATOM     22  C   LIG    1       -3.689  -1.165   2.240  0.00  0.00    +0.170 C 
ATOM     23  C   LIG    1       -4.066  -2.165   1.141  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1       -3.260  -2.928   0.611  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1       -5.402  -2.216   0.814  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1       -5.657  -2.882   0.097  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1       -6.407  -1.386   1.246  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1       -7.555  -1.512   0.829  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -6.040  -0.367   2.301  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -4.587   0.068   2.169  0.00  0.00    +0.041 C 
ENDBRANCH   6  22
TORSDOF 3