REMARK  Name = BDB063980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.554   0.454  -0.394  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.194   1.382  -1.027  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.124   2.205  -1.504  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.507   1.062  -0.895  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.461   1.676  -1.326  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.448  -0.199  -0.100  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.468  -0.967   0.303  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.125  -0.499   0.165  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.896  -0.736   0.066  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.538   0.402   0.575  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.916   0.558   0.341  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.658  -0.390  -0.367  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.006  -0.103  -0.514  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.272   1.044   0.066  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.000  -1.534  -0.858  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.961   1.841   0.823  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.627  -1.698  -0.634  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.900   0.591  -0.399  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -2.332   1.298  -0.978  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.815  -0.398   0.164  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.110   0.335   0.498  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -5.267   0.255  -0.290  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.415   0.977   0.048  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.422   1.796   1.174  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.281   1.896   1.965  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.135   1.174   1.628  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.922  -1.618  -0.804  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.788  -2.713  -0.344  0.00  0.00    -0.328 NA
ATOM     29  H   LIG    1       -3.686  -3.506  -0.976  0.00  0.00    +0.118 HD
ATOM     30  H   LIG    1       -3.464  -3.037   0.568  0.00  0.00    +0.118 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6