REMARK  Name = BDB059791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.369   0.532  -0.638  0.00  0.00    -0.017 C 
ATOM      2  C   LIG    1       -0.012  -0.753  -0.412  0.00  0.00    -0.011 C 
ATOM      3  C   LIG    1        1.138  -1.015   0.502  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.087  -1.953   1.553  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        2.232  -2.187   2.327  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.423  -1.504   2.085  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        3.498  -0.576   1.045  0.00  0.00    -0.038 A 
ATOM      8  O   LIG    1        0.030  -2.744   1.930  0.00  0.00    -0.487 OA
ATOM      9  C   LIG    1       -1.283  -2.396   1.491  0.00  0.00    +0.265 C 
ATOM     10  C   LIG    1       -1.478  -2.689   0.027  0.00  0.00    -0.003 A 
ATOM     11  C   LIG    1       -2.247  -3.776  -0.410  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.379  -4.038  -1.774  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.737  -3.227  -2.709  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.964  -2.147  -2.282  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.360  -0.350   0.256  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -0.844  -1.866  -0.916  0.00  0.00    -0.011 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -1.556   1.061  -1.410  0.00  0.00    +0.043 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.512   1.838  -0.484  0.00  0.00    +0.088 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.422   3.392  -2.128  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -3.724   2.329  -1.168  0.00  0.00    -0.308 NA
ATOM     21  C   LIG    1       -4.691   2.816  -0.180  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   7  22
ATOM     22  C   LIG    1        4.786   0.162   0.770  0.00  0.00    +0.132 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.209   1.110   1.879  0.00  0.00    +0.231 C 
ATOM     24  N   LIG    1        4.221   1.997   2.295  0.00  0.00    -0.253 N 
ATOM     25  H   LIG    1        3.246   1.802   2.071  0.00  0.00    +0.169 HD
ATOM     26  O   LIG    1        6.355   1.132   2.327  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  N   LIG    1        4.495   2.877   3.367  0.00  0.00    -0.254 NA
ATOM     28  H   LIG    1        5.092   2.365   4.031  0.00  0.00    +0.140 HD
ATOM     29  H   LIG    1        5.125   3.604   3.007  0.00  0.00    +0.140 HD
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6