REMARK  Name = BDB007669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.193  -0.170  -0.081  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.641   0.818   0.707  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.216   1.211   1.439  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.709  -0.518  -1.152  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.514  -1.985  -0.108  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        3.321  -1.369  -0.519  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        2.445  -0.804   0.418  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.747  -0.880   1.783  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.926  -1.497   2.202  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.804  -2.042   1.264  0.00  0.00    +0.005 A 
BRANCH   5  11
ATOM     11  C   LIG    1        5.459  -2.592  -1.126  0.00  0.00    +0.119 C 
BRANCH  11  13
ATOM     12  C   LIG    1        5.917  -0.641  -2.525  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1        6.479  -1.695  -1.690  0.00  0.00    -0.293 NA
BRANCH  13  14
ATOM     14  C   LIG    1        7.417  -1.192  -0.673  0.00  0.00    +0.180 C 
BRANCH  14  15
ATOM     15  C   LIG    1        8.710  -0.681  -1.315  0.00  0.00    +0.225 C 
ATOM     16  O   LIG    1        9.610  -1.405  -1.728  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1        8.827   0.681  -1.398  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        9.621   1.010  -1.933  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        8.002   1.264  -1.391  0.00  0.00    +0.145 HD
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -0.502   1.618   0.270  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.799   0.799   0.079  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.829   0.247  -1.242  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.975  -0.219  -1.374  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.037   1.714   0.269  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.343   1.020   0.228  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.432   2.003   0.072  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.824   1.417   0.190  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.033   0.166   0.796  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.333  -0.343   0.916  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.423   0.396   0.457  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.222   1.645  -0.128  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.851  -0.651   1.249  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.930   2.155  -0.258  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.582   0.195   1.419  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10