REMARK  Name = BDB011604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.011  -0.080  -0.747  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.824  -1.085  -0.298  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.348  -1.935  -0.015  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.332   0.938  -1.330  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.191  -1.084  -0.276  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.108   0.098  -0.355  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.783   1.269  -0.255  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.420  -0.411  -0.398  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.358  -1.813  -0.141  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.303  -2.620  -0.918  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.998  -2.147  -0.108  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.581  -3.574   0.065  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.549   0.347   0.150  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.356   0.721   1.627  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.613   1.361   2.219  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.426   2.171   1.207  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.558   2.708   0.078  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.887   1.581  -0.711  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  22
ATOM     19  N   LIG    1        3.606  -0.407  -0.313  0.00  0.00    -0.216 N 
ATOM     20  C   LIG    1        2.552   0.338  -0.834  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        2.663   1.601  -1.602  0.00  0.00    +0.068 C 
ATOM     22  C   LIG    1        1.421  -0.399  -0.508  0.00  0.00    +0.170 A 
ATOM     23  N   LIG    1        1.802  -1.576   0.079  0.00  0.00    -0.124 NA
ATOM     24  N   LIG    1        3.121  -1.596   0.142  0.00  0.00    -0.060 NA
BRANCH  19  29
ATOM     25  C   LIG    1        7.773   0.346   0.092  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1        7.263  -0.953   0.246  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1        8.179  -2.107   0.557  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1        5.882  -1.178   0.112  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        4.999  -0.126  -0.189  0.00  0.00    +0.068 A 
ATOM     30  C   LIG    1        5.518   1.164  -0.319  0.00  0.00    +0.031 A 
ATOM     31  C   LIG    1        6.894   1.395  -0.184  0.00  0.00    +0.048 A 
BRANCH  25  33
ATOM     32  C   LIG    1        9.683   1.776   0.095  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        9.129   0.475   0.239  0.00  0.00    -0.495 OA
ENDBRANCH  25  33
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 5