REMARK  Name = BDB060079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.487  -0.884   1.240  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.013  -0.392  -0.032  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.240   0.122  -0.276  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.215   0.451  -1.628  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.350   1.018  -2.226  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.490   1.236  -1.444  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.497   0.878  -0.093  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.001   0.152  -2.184  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.366   0.334   0.529  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.738  -0.341  -1.205  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.594   1.109   0.709  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.797   0.577   0.302  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1        5.926  -0.695  -0.247  0.00  0.00    +0.086 A 
ATOM     14  C   LIG    1        7.200  -1.114  -0.576  0.00  0.00    +0.133 A 
ATOM     15 CL   LIG    1        7.465  -2.663  -1.265  0.00  0.00    -0.062 Cl
ATOM     16  N   LIG    1        8.320  -0.384  -0.392  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1        8.158   0.835   0.162  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1        6.929   1.354   0.529  0.00  0.00    +0.066 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.153  -0.805  -1.341  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.929  -0.077  -0.388  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.268  -0.347  -0.340  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.971   0.396   0.613  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.351   0.217   0.765  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.027  -0.725  -0.012  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.327  -1.463  -0.965  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.951  -1.271  -1.133  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.116   0.988   1.768  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -7.990   0.496   2.459  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.774   2.293   1.806  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.181   2.581   1.085  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7