REMARK  Name = BDB058024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.792  -1.926  -0.308  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -0.291  -2.660   0.200  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.600  -2.369  -0.194  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.837  -1.333  -1.103  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.766  -0.624  -1.651  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.541  -0.920  -1.253  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        4.831   1.712   0.366  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        4.395   0.401   0.419  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1        3.136  -0.063   0.116  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1        3.168  -1.437   0.309  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        4.510  -1.867   0.780  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1        4.905  -2.976   1.065  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1        2.149  -2.287   0.128  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        5.255  -0.615   0.832  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        6.564  -0.384   1.208  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.019   0.935   1.158  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        6.163   1.975   0.739  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1        4.105   4.026   0.443  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.615   4.167   1.303  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        3.401   4.714   0.204  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        3.930   2.785  -0.107  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        3.059   2.582  -0.941  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1       -3.213  -1.012  -1.547  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -4.218  -0.877  -0.589  0.00  0.00    -0.288 N 
ATOM     25  C   LIG    1       -3.955  -0.361   0.767  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1       -4.588   0.982   0.926  0.00  0.00    +0.151 A 
ATOM     27  N   LIG    1       -5.477   1.495   0.019  0.00  0.00    -0.315 N 
ATOM     28  C   LIG    1       -5.862   2.705   0.489  0.00  0.00    +0.225 A 
ATOM     29  N   LIG    1       -5.259   2.930   1.635  0.00  0.00    -0.138 NA
ATOM     30  C   LIG    1       -5.884   0.823  -1.196  0.00  0.00    +0.143 C 
ATOM     31  N   LIG    1       -4.456   1.843   1.913  0.00  0.00    -0.133 NA
ATOM     32  C   LIG    1       -5.587  -0.671  -1.073  0.00  0.00    +0.130 C 
ATOM     33  O   LIG    1       -3.428  -0.898  -2.751  0.00  0.00    -0.270 OA
ENDBRANCH   4  23
TORSDOF 3