REMARK  Name = BDB021620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.109   1.184   0.376  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -3.102   2.049   0.802  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.809   1.598   1.144  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1       -1.022   2.645   1.524  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.101   2.351   2.334  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        1.156   1.646   1.512  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.997   0.204   1.592  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.188  -0.459   1.276  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.164  -1.690   1.164  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.497   0.239   1.032  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -2.537  -0.624   0.606  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.822  -0.167   0.287  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -5.300   1.788   0.097  0.00  0.00    -0.487 OA
BRANCH  13  17
ATOM     14  C   LIG    1       -8.088  -1.883   0.306  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -8.345  -0.447   0.237  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -7.189   0.342   0.701  0.00  0.00    +0.128 C 
ATOM     17  C   LIG    1       -6.376   1.002  -0.428  0.00  0.00    +0.187 C 
ATOM     18  C   LIG    1       -7.287   1.952  -1.221  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -8.726   1.442  -1.329  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -8.816  -0.066  -1.102  0.00  0.00    +0.084 C 
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1        2.232  -0.597   1.698  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.852  -0.928   0.319  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.132  -1.988  -0.325  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.244  -2.049   0.085  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.333  -1.353   0.501  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.081  -1.613  -0.745  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        6.413  -2.183  -0.478  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        7.558  -1.204  -0.593  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.542  -0.297  -1.666  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        8.620   0.564  -1.878  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.710   0.532  -1.007  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.728  -0.363   0.064  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.326  -0.318  -2.552  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        8.658  -1.236   0.268  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.079  -0.458  -1.663  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7