REMARK  Name = BDB017813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.258  -1.162  -2.219  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        1.064  -0.456  -2.112  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.327   0.301  -3.258  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.470   1.071  -3.355  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.370   1.067  -2.282  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        3.121   0.308  -1.118  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.207   0.177  -4.243  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.946  -0.457  -1.040  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.496  -1.094  -3.743  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.042   0.305   0.011  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        3.713  -0.250   1.247  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.782  -0.069   1.976  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        5.217  -0.382   3.349  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.750  -0.171   3.242  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        6.968   0.771   2.042  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        5.757   0.568   1.279  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        5.334   0.818   0.027  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -2.523  -0.999  -1.282  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1       -1.269  -0.458  -1.459  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1       -0.944   0.245  -0.809  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -2.889  -2.042  -1.812  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     22  C   LIG    1       -5.328  -0.327   1.160  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -4.441  -0.974   0.294  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -3.436  -0.258  -0.368  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -3.332   1.124  -0.176  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -4.211   1.771   0.691  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.202   1.047   1.362  0.00  0.00    +0.046 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -6.246  -1.151   1.748  0.00  0.00    -0.492 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -6.891  -0.446   3.976  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1       -7.299  -0.576   2.518  0.00  0.00    +0.225 C 
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 5