REMARK  Name = BDB007777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.871  -2.481  -1.301  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.554  -1.360  -0.920  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.282  -0.850  -1.062  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.142   0.153  -1.016  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.567  -0.461  -0.305  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.916  -0.705  -0.569  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        4.880   0.124  -0.011  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1        4.541   1.146   0.799  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        3.233   1.352   1.064  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        2.212   0.585   0.541  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1        6.230  -0.158  -0.280  0.00  0.00    -0.324 N 
ATOM     12  H   LIG    1        6.345  -0.246  -1.286  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        7.202   0.762   0.313  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1        8.608   0.536  -0.245  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1        9.545   0.903   0.780  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1        8.812   1.090   1.998  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1        7.440   0.492   1.785  0.00  0.00    +0.052 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -0.744  -1.600  -1.766  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.137  -0.975  -1.582  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.064   0.402  -1.989  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.935   0.406  -2.954  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.606  -1.077  -0.109  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.025  -0.815   0.194  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.449   0.553  -0.144  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.902   0.819   0.197  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.817  -0.243   0.327  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.164   0.029   0.604  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.606   1.346   0.725  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.707   2.400   0.577  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.334  -1.669   0.237  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.362   2.139   0.311  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.943  -1.788  -0.404  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8