REMARK  Name = BDB062329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.702  -1.415   0.384  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        1.223  -1.393  -0.908  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -0.151  -1.145  -0.828  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.888  -1.050  -2.029  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.240  -1.212  -3.258  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.126  -1.463  -3.309  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.492  -1.029   0.560  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1        1.882  -1.555  -2.138  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.678  -1.216   1.272  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        3.090  -1.613   0.773  0.00  0.00    +0.123 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.892  -0.317   0.697  0.00  0.00    +0.040 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.304  -0.518   1.233  0.00  0.00    +0.109 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.763   0.987  -0.054  0.00  0.00    +0.400 C 
ATOM     14  N   LIG    1        6.096   0.680   1.093  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        6.037   1.423   1.776  0.00  0.00    +0.152 HD
ATOM     16  O   LIG    1        6.850   0.264  -1.034  0.00  0.00    -0.226 OA
BRANCH  13  18
ATOM     17  C   LIG    1        8.019   2.655  -1.091  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        7.301   2.225   0.065  0.00  0.00    -0.454 OA
ENDBRANCH  13  18
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  C   LIG    1       -1.844  -0.785   1.146  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.363   0.558   0.840  0.00  0.00    -0.292 N 
ATOM     21  C   LIG    1       -3.680   0.797   0.420  0.00  0.00    +0.246 C 
ATOM     22  O   LIG    1       -4.192   1.920   0.497  0.00  0.00    -0.273 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.517  -0.380  -0.133  0.00  0.00    +0.217 C 
ATOM     24  O   LIG    1       -5.395   0.040  -1.197  0.00  0.00    -0.365 OA
ATOM     25  C   LIG    1       -6.719   0.314  -0.731  0.00  0.00    +0.176 C 
ATOM     26  C   LIG    1       -7.365  -0.959  -0.151  0.00  0.00    +0.109 C 
ATOM     27  N   LIG    1       -6.435  -1.840   0.588  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -6.089  -2.531  -0.080  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -5.282  -1.042   1.041  0.00  0.00    +0.122 C 
ENDBRANCH  21  23
BRANCH  20  30
ATOM     30  C   LIG    1       -1.635   1.667   1.447  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1       -0.303   2.143   0.916  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -1.509   3.011   0.768  0.00  0.00    +0.024 C 
ENDBRANCH  20  30
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 9