REMARK  Name = BDB032700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.630  -0.255   0.842  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.903  -0.679  -0.261  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.202  -0.610  -1.437  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.664  -1.274   0.251  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.722  -1.268   1.643  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.673  -1.773   2.386  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.437  -2.283   1.700  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.488  -2.297   0.285  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.584  -1.775  -0.452  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.018  -0.682   2.093  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.820   0.674  -0.755  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.663   0.536  -0.368  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.183  -0.696  -0.003  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.825  -1.470  -0.105  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.976  -0.992   0.587  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.754  -2.126   1.012  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.018   0.192   0.791  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.277   1.278  -0.253  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.732   1.711  -0.179  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.715  -2.817  -0.422  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.663  -1.749  -0.451  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.831  -2.054  -1.054  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        4.753  -1.042  -1.101  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        5.593  -1.350  -1.575  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        4.090  -3.149  -1.543  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.733   0.283  -0.621  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        5.880   1.057  -0.876  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        5.969   2.384  -0.441  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        4.911   2.939   0.276  0.00  0.00    +0.066 A 
ATOM     30  C   LIG    1        3.772   2.181   0.530  0.00  0.00    +0.046 A 
ATOM     31 CL   LIG    1        2.466   2.879   1.410  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        3.676   0.862   0.083  0.00  0.00    +0.043 A 
BRANCH  28  33
ATOM     33  O   LIG    1        7.034   3.220  -0.626  0.00  0.00    -0.434 OA
BRANCH  33  34
ATOM     34  C   LIG    1        7.956   2.867  -1.644  0.00  0.00    +0.541 C 
ATOM     35  F   LIG    1        8.812   3.909  -1.795  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        8.698   1.812  -1.226  0.00  0.00    -0.166 F 
ENDBRANCH  33  34
ENDBRANCH  28  33
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7