REMARK  Name = BDB045207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.473  -0.881   1.840  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.592  -0.153   1.275  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.771  -0.783   0.850  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.853  -2.177   0.994  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.803  -2.913   1.549  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.355  -2.269   1.971  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.853  -0.052   0.284  0.00  0.00    -0.271 N 
ATOM      8  C   LIG    1        3.021   1.341   0.303  0.00  0.00    +0.220 C 
ATOM      9  O   LIG    1        2.298   2.207   0.771  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        4.362   1.659  -0.318  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1        4.677   0.398  -1.115  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        4.011  -0.699  -0.291  0.00  0.00    +0.122 C 
BRANCH  11  13
ATOM     13  C   LIG    1        6.143   0.173  -1.399  0.00  0.00    -0.041 A 
ATOM     14  C   LIG    1        7.092   0.067  -0.370  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        8.440  -0.145  -0.668  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        9.585  -0.275   0.609  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        8.864  -0.255  -1.990  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        7.933  -0.150  -3.021  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.583   0.062  -2.728  0.00  0.00    +0.004 A 
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.743  -0.173   2.275  0.00  0.00    +0.151 C 
BRANCH  20  27
ATOM     21  C   LIG    1       -4.996   0.060  -0.556  0.00  0.00    +0.042 C 
ATOM     22  N   LIG    1       -3.879   0.986  -0.521  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1       -4.018   1.868  -0.999  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -2.883   0.937   0.398  0.00  0.00    +0.182 C 
ATOM     25  N   LIG    1       -2.064   1.923   0.513  0.00  0.00    -0.272 NA
ATOM     26  H   LIG    1       -2.276   2.644  -0.175  0.00  0.00    +0.189 HD
ATOM     27  N   LIG    1       -2.758  -0.160   1.222  0.00  0.00    -0.240 N 
ATOM     28  C   LIG    1       -3.619  -1.243   1.143  0.00  0.00    +0.224 C 
ATOM     29  O   LIG    1       -3.658  -2.157   1.971  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -4.510  -1.309  -0.072  0.00  0.00    +0.122 C 
ATOM     31  C   LIG    1       -5.396  -0.102  -2.042  0.00  0.00    +0.032 C 
BRANCH  21  33
ATOM     32  C   LIG    1       -6.719   1.983  -0.223  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -6.219   0.611   0.263  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -6.006   0.694   1.780  0.00  0.00    +0.009 C 
ENDBRANCH  21  33
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5