REMARK  Name = BDB032714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047   0.536  -1.587  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.939   0.800  -0.538  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -3.251   0.391  -0.691  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.380   0.543   0.234  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -5.463  -0.103  -0.345  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -5.168  -0.547  -1.701  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -4.332   1.144   1.289  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.710  -0.264  -1.831  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -2.843  -0.540  -2.872  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.506  -0.142  -2.741  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.836   0.003   0.136  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.441   1.374  -0.205  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.133   2.022  -1.205  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.459   1.805   0.614  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.879   2.691   0.367  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -9.048   1.129   1.653  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.049   1.573   2.209  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.462  -0.218   2.006  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.991  -0.296   1.627  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.402   0.937  -1.467  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.086  -0.114  -0.781  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        2.946  -0.960   0.038  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        2.258  -1.657   0.287  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        2.419   0.102  -0.638  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        2.997   1.092  -1.062  0.00  0.00    -0.226 OA
BRANCH  22  31
ATOM     26  C   LIG    1        6.639  -0.595   0.546  0.00  0.00    +0.125 A 
ATOM     27  C   LIG    1        6.904  -1.786   1.244  0.00  0.00    -0.009 A 
ATOM     28  C   LIG    1        8.300  -2.120   1.693  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1        5.853  -2.667   1.523  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1        4.553  -2.368   1.112  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        4.281  -1.187   0.417  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        5.330  -0.305   0.137  0.00  0.00    +0.069 A 
BRANCH  26  33
ATOM     33  O   LIG    1        7.727   0.208   0.316  0.00  0.00    -0.492 OA
BRANCH  33  35
ATOM     34  C   LIG    1        8.844   2.150  -0.492  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        7.508   1.439  -0.372  0.00  0.00    +0.225 C 
ENDBRANCH  33  35
ENDBRANCH  26  33
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7