REMARK  Name = BDB034686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.297   0.085  -0.385  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.922   0.774  -0.245  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.694   0.516   0.870  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.934   1.043   1.258  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.316   0.458   2.491  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.274  -0.426   2.842  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -2.245  -1.253   4.012  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.333   0.689   3.127  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.290  -0.392   1.848  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.105  -1.083   1.746  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.688  -0.835   0.618  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.106   0.379  -1.505  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        0.565   0.713  -2.301  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        4.760   0.208  -0.881  0.00  0.00    +0.129 A 
ATOM     15  N   LIG    1        5.289  -0.011  -2.110  0.00  0.00    -0.229 NA
ATOM     16  C   LIG    1        4.408  -0.080  -3.130  0.00  0.00    +0.149 A 
ATOM     17 CL   LIG    1        5.186  -0.359  -4.642  0.00  0.00    -0.061 Cl
ATOM     18  C   LIG    1        3.030   0.054  -2.998  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        2.501   0.282  -1.712  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        3.400   0.355  -0.641  0.00  0.00    +0.057 A 
BRANCH  14  24
ATOM     21  C   LIG    1        8.120   0.112   0.849  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        7.054   0.179  -0.115  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        7.240  -0.029  -1.093  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.731   0.282   0.257  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        5.345   0.412   1.412  0.00  0.00    -0.269 OA
ENDBRANCH  14  24
BRANCH  18  26
ATOM     26  C   LIG    1        2.175  -0.040  -4.139  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        1.436  -0.087  -5.032  0.00  0.00    -0.191 NA
ENDBRANCH  18  26
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -3.746   1.963   0.509  0.00  0.00    +0.129 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.456   1.348  -0.704  0.00  0.00    +0.053 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.464   0.249  -0.345  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -6.395  -0.046  -1.516  0.00  0.00    +0.037 C 
BRANCH  30  32
ATOM     32  O   LIG    1       -4.792  -0.962  -0.010  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1       -4.213  -1.208  -0.751  0.00  0.00    +0.210 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 8