REMARK  Name = BDB063904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.063  -0.261  -0.134  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.591  -1.433  -0.290  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.585  -1.575  -0.187  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.311  -2.420  -0.510  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.121  -3.610  -0.656  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.600  -1.673  -0.504  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.773  -2.289  -0.694  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.355  -0.338  -0.258  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.106  -1.665  -0.691  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.187  -2.415  -0.198  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.474  -1.849  -0.217  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.712  -0.570  -0.724  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.031  -0.146  -0.679  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.773  -1.089  -0.147  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.624   0.166  -1.231  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.966  -2.522   0.327  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.338  -0.390  -1.214  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.590   0.898   0.131  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.018   1.710   0.090  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.820   0.452   1.101  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -2.025   1.133  -0.063  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.260   2.647  -0.182  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.632   3.061  -0.738  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.706   1.978  -0.806  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.155   1.426   0.543  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -4.057   1.226   1.583  0.00  0.00    +0.033 C 
BRANCH  20  28
ATOM     27  C   LIG    1       -3.553  -1.756   1.712  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -3.163  -0.880   0.658  0.00  0.00    -0.378 OA
ENDBRANCH  20  28
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4