REMARK  Name = BDB062328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.870   1.019  -1.204  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.305  -0.222  -1.518  0.00  0.00    -0.290 N 
ATOM      3  O   LIG    1       -1.342   2.101  -1.458  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      4  O   LIG    1       -9.063   0.809   1.524  0.00  0.00    -0.272 OA
ATOM      5  C   LIG    1       -7.999   0.785   0.910  0.00  0.00    +0.255 C 
ATOM      6  N   LIG    1       -6.849   1.274   1.461  0.00  0.00    -0.280 N 
ATOM      7  H   LIG    1       -6.920   1.673   2.388  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -5.631   1.220   0.787  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -5.543   0.584  -0.455  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -4.317   0.506  -1.112  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -3.179   1.060  -0.518  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -3.272   1.723   0.711  0.00  0.00    +0.015 A 
ATOM     13  O   LIG    1       -6.598  -0.023  -1.076  0.00  0.00    -0.481 OA
ATOM     14  C   LIG    1       -4.500   1.792   1.371  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -7.872   0.272  -0.524  0.00  0.00    +0.325 C 
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  C   LIG    1       -1.890  -1.498  -1.175  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.112  -2.581  -0.470  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -2.217  -1.877   0.249  0.00  0.00    +0.024 C 
ENDBRANCH   2  16
BRANCH   2  19
ATOM     19  C   LIG    1       -0.133  -0.234  -2.398  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.185  -0.374  -1.666  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.016  -1.478  -1.909  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.236  -1.610  -1.242  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        3.654  -0.630  -0.334  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        2.829   0.472  -0.081  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        1.608   0.600  -0.750  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        4.963  -0.815   0.356  0.00  0.00    +0.249 C 
ATOM     27  N   LIG    1        5.636   0.347   0.653  0.00  0.00    -0.266 N 
ATOM     28  H   LIG    1        5.282   1.233   0.323  0.00  0.00    +0.157 HD
ATOM     29  O   LIG    1        5.353  -1.955   0.580  0.00  0.00    -0.270 OA
BRANCH  27  30
ATOM     30  C   LIG    1        6.862   0.487   1.311  0.00  0.00    +0.128 A 
ATOM     31  N   LIG    1        7.279   1.764   1.389  0.00  0.00    -0.221 NA
ATOM     32  C   LIG    1        8.450   1.966   2.012  0.00  0.00    +0.223 A 
ATOM     33  N   LIG    1        9.226   1.022   2.559  0.00  0.00    -0.244 NA
ATOM     34  C   LIG    1        8.763  -0.235   2.458  0.00  0.00    +0.116 A 
ATOM     35  C   LIG    1        7.577  -0.563   1.841  0.00  0.00    +0.063 A 
ENDBRANCH  27  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 6