REMARK  Name = BDB060336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.426   0.481  -0.253  0.00  0.00    -0.269 N 
ATOM      2  N   LIG    1       -2.536  -0.867  -0.263  0.00  0.00    -0.171 NA
ATOM      3  C   LIG    1       -1.270  -1.313  -0.220  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -0.377  -0.199  -0.158  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.013  -0.231  -0.103  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.532  -1.546  -0.119  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        0.659  -2.738  -0.164  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.770  -2.625  -0.226  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -1.139   0.936  -0.178  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1        2.930  -1.783  -0.069  0.00  0.00    -0.280 N 
ATOM     11  H   LIG    1        3.190  -2.771  -0.019  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        4.060  -1.004   0.056  0.00  0.00    +0.267 C 
ATOM     13  O   LIG    1        5.154  -1.547   0.246  0.00  0.00    -0.268 OA
BRANCH  12  14
ATOM     14  C   LIG    1        4.032   0.472   0.043  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        3.792   1.088  -1.148  0.00  0.00    -0.238 NA
ATOM     16  C   LIG    1        3.820   2.455  -1.160  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1        4.063   3.199   0.007  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        4.315   2.536   1.212  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.308   1.145   1.233  0.00  0.00    +0.033 A 
BRANCH  16  20
ATOM     20  C   LIG    1        3.515   3.183  -2.468  0.00  0.00    +0.434 C 
ATOM     21  F   LIG    1        4.143   2.651  -3.556  0.00  0.00    -0.164 F 
ATOM     22  F   LIG    1        3.886   4.499  -2.443  0.00  0.00    -0.164 F 
ATOM     23  F   LIG    1        2.182   3.187  -2.765  0.00  0.00    -0.164 F 
ENDBRANCH  16  20
ENDBRANCH  12  14
ENDBRANCH   6  10
BRANCH   7  24
ATOM     24  C   LIG    1        1.246  -4.170  -0.214  0.00  0.00    +0.087 C 
ATOM     25  C   LIG    1        0.332  -5.274   0.355  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        1.618  -4.515  -1.662  0.00  0.00    +0.046 C 
BRANCH  24  27
ATOM     27  O   LIG    1        2.448  -4.229   0.573  0.00  0.00    -0.384 OA
ATOM     28  H   LIG    1        2.187  -4.085   1.504  0.00  0.00    +0.211 HD
ENDBRANCH  24  27
ENDBRANCH   7  24
BRANCH   1  29
ATOM     29  C   LIG    1       -3.623   1.305  -0.311  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.207   1.535   1.092  0.00  0.00    +0.107 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -6.061   2.337   2.415  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -5.404   2.405   1.104  0.00  0.00    -0.307 NA
ATOM     33  C   LIG    1       -5.077   3.799   0.786  0.00  0.00    +0.104 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 8