REMARK  Name = BDB012200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.865  -0.512  -1.527  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.293   0.456  -1.030  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.088   0.545  -0.973  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.831   1.691  -0.435  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.324   1.674  -0.805  0.00  0.00    +0.125 C 
ATOM      6  N   LIG    1        3.954   0.406  -0.401  0.00  0.00    -0.310 N 
ATOM      7  C   LIG    1        3.154  -0.815  -0.610  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1        1.902  -0.567  -1.470  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        5.318   0.345  -0.384  0.00  0.00    +0.151 A 
ATOM     10  C   LIG    1        6.107  -0.714   0.182  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        7.428  -0.342  -0.051  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        8.529  -1.113   0.336  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        8.266  -2.312   1.003  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.958  -2.711   1.273  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        7.348   0.863  -0.686  0.00  0.00    -0.275 N 
ATOM     16  H   LIG    1        8.117   1.440  -1.005  0.00  0.00    +0.189 HD
ATOM     17  C   LIG    1        5.872  -1.921   0.873  0.00  0.00    +0.013 A 
ATOM     18  N   LIG    1        6.102   1.311  -0.878  0.00  0.00    -0.158 NA
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.072   1.632  -0.454  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.582   1.396  -0.381  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.970   0.409   0.722  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.473   0.299   0.836  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1       -5.103   1.343   1.460  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.579   2.122   1.830  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -6.461   1.404   1.638  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -7.000   2.346   2.207  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -7.224   0.264   1.103  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -6.501  -0.755   0.478  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -7.200  -1.847  -0.040  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -8.592  -1.916   0.068  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -9.300  -0.890   0.697  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -8.617   0.207   1.218  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -5.102  -0.721   0.350  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5