REMARK  Name = BDB043079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.469   0.564  -0.141  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -2.022   0.027  -0.049  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.792  -1.180   0.056  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.018   0.972  -0.103  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.246   2.401  -0.186  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.092   2.980  -0.635  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.152   1.940  -0.254  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.047   2.380   0.906  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.921   1.199   1.339  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.154   0.036   1.807  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.723   0.100   1.465  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.745   2.972   1.143  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.771   2.098   1.872  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.396   0.633   0.050  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -3.885   1.508   1.005  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.636  -0.506  -0.724  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -4.360  -0.593  -0.221  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.935  -1.494  -0.025  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -6.138   0.574  -1.038  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -6.413  -1.849  -0.786  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.636  -2.954  -1.501  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -7.806  -1.476  -2.792  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.774  -1.637  -1.342  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -8.124  -0.765  -0.930  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.759  -1.247   1.398  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.111  -1.573   2.067  0.00  0.00    +0.052 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.320  -1.015   1.378  0.00  0.00    -0.021 A 
ATOM     28  C   LIG    1        5.836  -1.393   0.095  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        6.975  -0.623  -0.142  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        7.732  -0.729  -1.315  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1        7.314  -1.654  -2.276  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.185  -2.441  -2.068  0.00  0.00    +0.001 A 
ATOM     33  N   LIG    1        7.157   0.180   0.958  0.00  0.00    -0.360 N 
ATOM     34  H   LIG    1        7.917   0.836   1.069  0.00  0.00    +0.165 HD
ATOM     35  C   LIG    1        5.439  -2.322  -0.889  0.00  0.00    +0.010 A 
ATOM     36  C   LIG    1        6.174  -0.052   1.881  0.00  0.00    +0.087 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6