REMARK  Name = BDB063565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.414   2.284   2.541  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -0.884   1.394   1.464  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -1.641   0.290   0.846  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1       -2.892  -0.036   1.195  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -0.697  -0.293  -0.140  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1       -0.896  -1.250  -0.863  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        0.443   0.523   0.001  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        0.315   1.519   0.965  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.747  -1.051   0.697  0.00  0.00    +0.082 A 
ATOM     10  N   LIG    1       -4.760  -1.501   1.504  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1       -5.394  -2.406   0.793  0.00  0.00    +0.197 A 
ATOM     12  N   LIG    1       -4.843  -2.539  -0.450  0.00  0.00    -0.350 N 
ATOM     13  H   LIG    1       -5.157  -3.167  -1.177  0.00  0.00    +0.166 HD
ATOM     14  C   LIG    1       -3.800  -1.655  -0.533  0.00  0.00    +0.111 A 
ENDBRANCH   4   9
BRANCH   7  15
ATOM     15  C   LIG    1        1.671   0.428  -0.704  0.00  0.00    +0.060 A 
ATOM     16  C   LIG    1        1.891  -0.543  -1.690  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        3.113  -0.617  -2.371  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        4.140   0.277  -2.066  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        3.936   1.266  -1.102  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        2.712   1.334  -0.426  0.00  0.00    +0.026 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.418   0.170  -2.804  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        5.482  -0.070  -3.996  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        6.498   0.322  -2.009  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        6.299   0.334  -1.054  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   7  15
TORSDOF 4