REMARK  Name = BDB063870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.479  -1.040  -0.182  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.293  -2.373  -0.305  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.575  -2.863  -0.404  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.503  -2.984  -0.352  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.750  -4.166  -0.477  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.443  -1.838  -0.218  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.771  -2.009  -0.223  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.723  -0.667  -0.120  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.795  -0.957  -0.116  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.618   0.180   0.688  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.656   1.126   0.767  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.861   0.961   0.081  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.791   1.974   0.257  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.294   2.887   1.060  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.035  -0.191  -0.709  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.714   2.604   1.654  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.005  -1.137  -0.794  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.554  -0.161  -0.127  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -0.222   0.767   0.123  0.00  0.00    +0.149 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -5.365   1.260   0.560  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -4.228   0.221   0.484  0.00  0.00    -0.025 C 
ATOM     22  C   LIG    1       -2.777   0.799   0.567  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -1.900  -0.472   0.313  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -2.711  -1.215  -0.772  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -2.420   1.534   1.847  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -2.717   1.712  -0.694  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -3.522   0.917  -1.735  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -3.969  -0.330  -0.942  0.00  0.00    -0.003 C 
ATOM     29  C   LIG    1       -4.578  -0.866   1.521  0.00  0.00    +0.012 C 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 3