REMARK  Name = BDB011470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.500   0.247  -0.674  0.00  0.00    +0.170 C 
ATOM      2  C   LIG    1        1.357   1.021   0.008  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1        1.616   1.951   0.782  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.050   0.657  -0.324  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -0.283  -0.561  -1.009  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.324  -1.797  -0.691  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.052  -2.961  -1.382  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.018  -2.914  -2.386  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.633  -1.706  -2.696  0.00  0.00    +0.002 A 
ATOM     10  S   LIG    1        1.450  -2.020   0.682  0.00  0.00    -0.121 S 
ATOM     11  C   LIG    1       -1.273  -0.541  -2.008  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.854  -1.021   0.099  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.755   0.876  -1.539  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.650   1.147  -0.766  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1        3.789   1.823  -0.012  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        4.815  -0.083  -2.303  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.879   1.920  -1.363  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        7.157   1.520  -2.096  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.673   1.120   0.827  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.076   2.224   0.080  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.690   3.036   0.155  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.041   1.527   0.132  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.952   0.858   1.137  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1       -3.276   0.532   0.795  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.131  -0.119   1.700  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -3.626  -0.436   2.971  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -2.314  -0.112   3.326  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -1.483   0.534   2.415  0.00  0.00    +0.005 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -5.511  -0.468   1.315  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1       -6.380   0.501   0.785  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -7.683   0.173   0.403  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -8.141  -1.135   0.547  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.298  -2.111   1.073  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -5.994  -1.778   1.456  0.00  0.00    +0.008 A 
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6