REMARK  Name = BDB063897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.191  -0.245  -0.230  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.712  -1.379  -0.746  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.694  -1.608  -0.798  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.296  -2.208  -1.109  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.236  -3.326  -1.579  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.502  -1.401  -0.769  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.741  -1.849  -1.005  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.108  -0.198  -0.221  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.000  -1.141  -0.725  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.164  -0.326   0.406  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.409   0.291   0.626  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.490   0.106  -0.239  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.652   0.777   0.107  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.451   1.455   1.213  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.320  -0.728  -1.360  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.890   1.341   1.907  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.083  -1.345  -1.588  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.974   0.759   0.240  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.437   1.600   0.436  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -3.283   0.000   0.741  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -2.382   0.957  -0.097  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.758   2.420   0.152  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.195   2.713  -0.282  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.125   1.507  -0.150  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -4.690   0.581   0.981  0.00  0.00    +0.033 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -3.661  -2.359   0.880  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -3.376  -1.252   0.026  0.00  0.00    -0.378 OA
ENDBRANCH  20  27
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4