REMARK  Name = BDB047819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.412  -0.553  -0.065  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.884   0.775   0.039  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.242   1.027  -0.187  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.115  -0.019  -0.501  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.659  -1.344  -0.598  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -1.293  -1.593  -0.374  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.041   1.800   0.360  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.225   2.417   1.681  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        0.614   3.703   1.854  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        0.362   4.749   0.838  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -0.450   5.841   1.367  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -0.254   4.186  -0.385  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        0.258   2.773  -0.742  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -3.584  -2.442  -0.932  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -3.283  -3.357  -1.956  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.158  -4.400  -2.276  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1       -5.356  -4.550  -1.574  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -5.672  -3.653  -0.552  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -4.793  -2.610  -0.235  0.00  0.00    +0.010 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -6.255  -5.618  -1.900  0.00  0.00    +0.099 C 
ATOM     21  N   LIG    1       -6.988  -6.479  -2.163  0.00  0.00    -0.191 NA
ENDBRANCH  17  20
ENDBRANCH   5  14
BRANCH   1  23
ATOM     22  C   LIG    1        1.713  -1.879   0.095  0.00  0.00    +0.250 C 
ATOM     23  N   LIG    1        0.970  -0.725   0.157  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        1.433   0.162   0.347  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        1.302  -3.012  -0.129  0.00  0.00    -0.270 OA
BRANCH  22  30
ATOM     26  C   LIG    1        6.277   0.363  -0.394  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        5.344  -0.654   0.201  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.988  -0.745  -0.177  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        3.388   0.323  -1.407  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        3.156  -1.716   0.411  0.00  0.00    +0.056 A 
ATOM     31  C   LIG    1        3.685  -2.618   1.348  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        5.024  -2.537   1.718  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        5.834  -1.561   1.149  0.00  0.00    +0.128 A 
ATOM     34  F   LIG    1        7.120  -1.506   1.526  0.00  0.00    -0.205 F 
ENDBRANCH  22  30
ENDBRANCH   1  23
TORSDOF 5