REMARK  Name = BDB039630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.676   0.146   0.281  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -1.623  -0.781  -0.173  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.249  -0.074  -0.131  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.168   0.336   1.231  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.006   0.569   2.101  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.288   1.055   1.382  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.722  -0.819  -0.177  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -6.402   0.490  -0.038  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -5.082   0.769   0.097  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1       -4.827   2.479   0.134  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1       -4.026  -0.172   0.124  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -4.439  -1.505  -0.043  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -5.787  -1.839  -0.190  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1      -10.434  -0.130  -0.359  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -9.000  -0.027  -0.345  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.551   0.869  -0.173  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -8.179  -1.135  -0.323  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.576  -2.291  -0.405  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.064   1.502   1.206  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.403   1.205   0.572  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.384   0.507   1.289  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        3.148   0.129   2.555  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.616   0.207   0.711  0.00  0.00    +0.104 A 
ATOM     24  N   LIG    1        5.593  -0.495   1.441  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1        5.391  -0.785   2.391  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        6.832  -0.830   0.939  0.00  0.00    +0.275 A 
ATOM     27  C   LIG    1        7.076  -0.405  -0.412  0.00  0.00    +0.135 A 
ATOM     28  N   LIG    1        6.127   0.280  -1.124  0.00  0.00    -0.225 N 
ATOM     29  N   LIG    1        6.528   0.597  -2.373  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1        7.764   0.096  -2.444  0.00  0.00    +0.139 A 
ATOM     31  C   LIG    1        8.168  -0.544  -1.250  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.461  -1.209  -0.966  0.00  0.00    +0.048 C 
ATOM     33  O   LIG    1        7.639  -1.446   1.629  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1        4.869   0.613  -0.600  0.00  0.00    +0.092 A 
ATOM     35  C   LIG    1        3.914   1.312  -1.339  0.00  0.00    +0.030 A 
ATOM     36  C   LIG    1        2.682   1.606  -0.748  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4