REMARK  Name = BDB022269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.579  -4.004   0.131  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.713  -2.559   0.237  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -1.583  -1.714   0.028  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.729  -0.318   0.119  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.616   0.500  -0.174  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.638  -0.029  -0.512  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        0.770  -1.415  -0.553  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.043   0.268   0.499  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -4.078  -0.573   0.632  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -0.325  -2.247  -0.297  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.970  -2.039   0.493  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.991  -2.711   0.630  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.709   0.857  -0.743  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.395   1.762  -1.089  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.107   0.701  -0.609  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.003   1.444  -1.405  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.367   1.210  -1.256  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        6.571   2.046  -2.160  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        5.908   0.313  -0.400  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        5.023  -0.390   0.351  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        3.646  -0.235   0.283  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.528   2.411  -2.342  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        3.098   3.199  -3.077  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        5.623  -1.379   1.290  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        4.985  -2.107   2.028  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        6.974  -1.362   1.206  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        7.262  -0.696   0.539  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  N   LIG    1       -3.118   1.646   0.695  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1       -2.279   2.006   1.154  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.302   2.367   1.170  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.040   3.870   1.164  0.00  0.00    +0.232 C 
ATOM     32  F   LIG    1       -3.006   4.143   2.010  0.00  0.00    -0.247 F 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 8