REMARK  Name = BDB043078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.115  -0.615   1.075  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -2.059   0.169   0.277  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -2.297   0.614  -0.850  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.815   0.275   0.861  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.450  -0.135   2.217  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        1.062   0.126   2.271  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.230   1.345   1.356  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.678   1.610   0.946  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.962   1.332  -0.528  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.349   0.055  -0.897  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.884   0.217  -0.964  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -0.801  -1.577   2.624  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -1.349  -2.459   1.504  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.262   1.024   0.207  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.780  -2.108   1.080  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.239   0.624   0.912  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -4.419  -0.390   0.453  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -4.446  -0.558  -0.546  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -5.033   1.233   1.961  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -6.420   0.957  -0.030  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.982   2.110  -0.933  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -8.768   1.672   0.045  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.606   1.240   0.800  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -7.350   1.941   1.500  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.880  -0.475  -2.168  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.039  -1.499  -2.007  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1        3.619  -2.686  -1.127  0.00  0.00    +0.014 C 
BRANCH  26  28
ATOM     28  C   LIG    1        5.366  -0.863  -1.617  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1        6.139  -0.236  -2.610  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.359   0.368  -2.295  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.823   0.357  -0.983  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.067  -0.255   0.015  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.848  -0.859  -0.299  0.00  0.00    +0.004 A 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6