REMARK  Name = BDB007717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.527  -0.830   2.336  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.690   1.742   1.848  0.00  0.00    -0.268 OA
ATOM      3  C   LIG    1        2.273   0.729   1.482  0.00  0.00    +0.264 C 
ATOM      4  N   LIG    1        1.779  -0.545   1.657  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1        2.368  -1.314   1.341  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.590   0.793   0.792  0.00  0.00    +0.144 A 
ATOM      7  N   LIG    1        4.137  -0.390   0.393  0.00  0.00    -0.239 NA
ATOM      8  C   LIG    1        5.328  -0.303  -0.231  0.00  0.00    +0.090 A 
ATOM      9  C   LIG    1        5.964   0.948  -0.456  0.00  0.00    +0.089 A 
ATOM     10  C   LIG    1        7.191   0.974  -1.105  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        7.809  -0.200  -1.540  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        7.188  -1.423  -1.321  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1        5.402   2.106  -0.052  0.00  0.00    -0.251 NA
ATOM     14  C   LIG    1        5.954  -1.464  -0.669  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        4.205   2.010   0.575  0.00  0.00    +0.144 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.663  -0.984   1.369  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.319  -1.980   0.393  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.412  -1.603  -0.129  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.053   0.356   0.691  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.332   0.421  -0.044  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.498   0.391   0.853  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.823   0.430   0.118  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.907   0.074  -1.240  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.148   0.088  -1.890  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.305   0.429  -1.190  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.229   0.764   0.160  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.651  -0.258  -2.008  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.996   0.762   0.812  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.470  -0.599  -1.088  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6