REMARK  Name = BDB065098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.256  -2.192   0.447  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.367  -1.409   0.789  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -1.192  -0.042   1.016  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.055   0.564   0.944  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.194  -0.215   0.644  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.465   0.436   0.609  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.493   1.821   0.778  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        1.313   2.491   1.057  0.00  0.00    +0.142 A 
ATOM      9  N   LIG    1        0.112   1.884   1.159  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        1.006  -1.595   0.382  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        0.549  -4.296  -0.351  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -0.499  -3.522   0.215  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1        1.317   3.913   1.263  0.00  0.00    +0.119 C 
ATOM     14  N   LIG    1        1.371   5.062   1.427  0.00  0.00    -0.189 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1        3.622  -0.306   0.309  0.00  0.00    -0.340 N 
ATOM     16  H   LIG    1        3.590  -1.216   0.766  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1        4.975   0.272   0.321  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        5.998  -0.852   0.565  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        7.363  -0.461   0.009  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        7.329  -0.323  -1.451  0.00  0.00    -0.305 NA
ATOM     21  C   LIG    1        8.454   0.478  -1.928  0.00  0.00    +0.104 C 
ATOM     22  C   LIG    1        6.043   0.152  -1.977  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1        5.263   1.019  -0.992  0.00  0.00    +0.037 C 
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  24
ATOM     24  O   LIG    1       -2.572  -2.060   0.837  0.00  0.00    -0.488 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.690  -1.415   1.446  0.00  0.00    +0.230 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.538  -0.707   0.392  0.00  0.00    +0.056 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.777  -0.070   1.024  0.00  0.00    +0.087 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -6.556   0.707   0.058  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1       -7.663   1.423   0.696  0.00  0.00    +0.084 C 
ATOM     30  C   LIG    1       -8.506   1.865  -0.489  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -8.252   0.816  -1.564  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -7.187  -0.107  -0.984  0.00  0.00    +0.084 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 9