REMARK  Name = BDB009015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.174  -1.325   0.891  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.929  -1.734   0.136  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.085  -2.239   0.760  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.106  -2.363   2.155  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.009  -1.962   2.914  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.123  -1.443   2.284  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.648  -0.554  -0.991  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        1.355  -0.798   0.338  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        2.098  -0.548   0.984  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.911  -0.752  -1.953  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.053   0.023  -1.196  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  O   LIG    1        3.728   0.198   0.049  0.00  0.00    -0.483 OA
BRANCH  12  16
ATOM     13  C   LIG    1        7.581   1.500   2.681  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        6.915   1.377   1.343  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1        5.617   0.858   1.240  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        4.996   0.709  -0.004  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        5.686   1.075  -1.160  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        6.985   1.580  -1.069  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        7.599   1.726   0.175  0.00  0.00    +0.003 A 
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.273  -2.696  -0.055  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.700  -1.725  -1.152  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.292  -0.400  -0.785  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.530  -0.027   0.652  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.459   1.179   0.817  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.092   2.289  -0.160  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.183   1.799  -1.607  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.608   0.423  -1.801  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.393  -0.010  -3.205  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.679   0.712  -4.154  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.876  -1.266  -3.371  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.705  -1.576  -4.321  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.521  -2.122  -2.377  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6