REMARK  Name = BDB033807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.036  -0.355  -0.750  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.307  -1.323  -0.659  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -4.802   2.606  -0.796  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -3.528   1.833  -0.791  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -3.474   0.464  -0.656  0.00  0.00    +0.222 A 
ATOM      6  N   LIG    1       -2.333  -0.249  -0.641  0.00  0.00    -0.179 NA
ATOM      7  C   LIG    1       -1.185   0.431  -0.772  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1       -1.133   1.763  -0.905  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1       -2.299   2.434  -0.913  0.00  0.00    +0.123 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -4.683  -0.194  -0.516  0.00  0.00    -0.470 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.585  -1.623  -0.401  0.00  0.00    +0.203 C 
ATOM     12  C   LIG    1       -5.984  -2.213  -0.632  0.00  0.00    +0.155 C 
ATOM     13  C   LIG    1       -6.736  -1.891   0.655  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -5.672  -1.896   1.752  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1       -4.321  -2.043   1.045  0.00  0.00    +0.047 C 
BRANCH  12  16
ATOM     16  O   LIG    1       -6.635  -1.661  -1.764  0.00  0.00    -0.388 OA
ATOM     17  H   LIG    1       -6.447  -0.704  -1.751  0.00  0.00    +0.210 HD
ENDBRANCH  12  16
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.329  -0.092  -0.907  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        1.855   1.183  -1.152  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        3.233   1.388  -1.282  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        4.107   0.310  -1.152  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        3.614  -0.971  -0.912  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        2.234  -1.162  -0.786  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        5.851   0.578  -1.320  0.00  0.00    +0.059 S 
ATOM     25  O   LIG    1        6.048   1.529  -2.392  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        6.526  -0.701  -1.301  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        6.216   1.384   0.098  0.00  0.00    -0.187 NA
ATOM     28  H   LIG    1        6.667   2.289  -0.022  0.00  0.00    +0.148 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.337   0.659   1.364  0.00  0.00    +0.070 C 
ATOM     30  C   LIG    1        7.811   0.416   1.665  0.00  0.00    +0.025 C 
ATOM     31  C   LIG    1        5.687   1.498   2.459  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8