REMARK  Name = BDB012451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.255  -3.657   3.080  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.396  -2.903   2.120  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -0.515  -3.028   0.962  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.657  -2.216   0.935  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.560  -2.285  -0.137  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -2.297  -3.194  -1.172  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.173  -4.029  -1.123  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.780  -1.384  -0.171  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1       -3.478   0.002  -0.537  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1       -2.511   0.634   0.211  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1       -2.165   1.843  -0.102  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1       -2.804   2.629  -1.174  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -3.770   2.017  -1.862  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -1.008   2.444   0.621  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.003   1.558   1.038  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        1.164   2.003   1.679  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1        1.279   3.372   1.946  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        0.271   4.263   1.554  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.246   1.029   2.105  0.00  0.00    +0.160 C 
ATOM     20  N   LIG    1        2.464  -0.022   1.117  0.00  0.00    -0.307 N 
ATOM     21  C   LIG    1        1.871  -1.271   1.103  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1        2.028  -1.844  -0.068  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        2.810  -0.995  -0.806  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        3.293  -1.141  -2.114  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        4.076  -0.118  -2.662  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.365   1.031  -1.924  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.886   1.196  -0.619  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        3.117   0.154  -0.086  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1       -0.871   3.805   0.887  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1       -4.168   0.621  -1.567  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -5.060   0.107  -2.236  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1       -0.282  -3.956  -0.049  0.00  0.00    +0.013 A 
ATOM     33  N   LIG    1        1.223  -1.805   2.193  0.00  0.00    -0.252 N 
ATOM     34  H   LIG    1        1.580  -1.601   3.114  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0