REMARK  Name = BDB019176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.304  -1.343  -0.976  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.502  -1.838   0.229  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.909  -1.759  -0.331  0.00  0.00    +0.180 C 
ATOM      4  C   LIG    1       -0.875  -0.528  -1.240  0.00  0.00    +0.197 C 
ATOM      5  O   LIG    1        0.517  -0.321  -1.615  0.00  0.00    -0.344 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.422   0.778  -0.611  0.00  0.00    +0.238 C 
ATOM      7  C   LIG    1       -2.924   0.894  -0.705  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1       -3.713   0.792   0.442  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -5.111   0.872   0.338  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -5.712   1.078  -0.901  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -4.933   1.200  -2.046  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -7.425   1.181  -1.015  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.071   0.557   1.775  0.00  0.00    +0.156 C 
ATOM     14  C   LIG    1       -1.611   0.897   1.860  0.00  0.00    +0.312 C 
ATOM     15  O   LIG    1       -1.059   1.043   2.949  0.00  0.00    -0.250 OA
ATOM     16  C   LIG    1       -3.544   1.108  -1.949  0.00  0.00    +0.009 A 
ATOM     17  O   LIG    1       -0.896   0.971   0.722  0.00  0.00    -0.454 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     18  C   LIG    1        4.847   1.278   1.103  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        4.323   0.343   0.198  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        4.834  -0.487  -0.837  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.775  -1.195  -1.365  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1        2.631  -0.821  -0.693  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1        2.956   0.111   0.262  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1        2.098   0.692   1.113  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1        2.706   1.567   1.927  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1        4.015   1.881   1.974  0.00  0.00    -0.220 NA
BRANCH  18  27
ATOM     27  N   LIG    1        6.192   1.609   1.174  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.828   0.878   0.888  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        6.398   2.074   2.051  0.00  0.00    +0.144 HD
ENDBRANCH  18  27
ENDBRANCH   1  22
BRANCH   2  30
ATOM     30  O   LIG    1        0.805  -3.182   0.618  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1        1.656  -3.148   1.097  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -1.156  -2.935  -1.123  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -0.773  -3.676  -0.606  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5