REMARK  Name = BDB018461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.143  -0.678   1.014  0.00  0.00    -0.238 N 
ATOM      2  N   LIG    1        0.192  -1.359   1.688  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1       -0.937  -0.676   1.502  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.742   0.468   0.716  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.604   0.451   0.421  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.690   1.460   0.301  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.957   1.095  -0.354  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -3.829   2.054  -0.716  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -3.549   3.489  -0.465  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -4.381   4.327  -0.799  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -2.331   3.767   0.140  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -1.979   5.149   0.425  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.445   2.769   0.507  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -3.350  -0.287  -0.704  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.712  -0.954  -1.760  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -3.073  -2.263  -2.087  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -4.072  -2.909  -1.361  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.517  -4.520  -1.767  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.714  -2.257  -0.309  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.354  -0.948   0.019  0.00  0.00    +0.010 A 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  23
ATOM     21  C   LIG    1        4.777  -0.807   0.125  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        3.438  -0.409   0.211  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        2.496  -1.135   0.971  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1        2.927  -2.288   1.656  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        4.278  -2.676   1.559  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        5.196  -1.945   0.802  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.931  -0.358  -0.782  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.561   0.002  -0.650  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  24  29
ATOM     29  C   LIG    1        2.098  -3.130   2.481  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        1.533  -3.874   3.172  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
ENDBRANCH   1  23
TORSDOF 5