REMARK  Name = BDB027571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.764  -2.168  -0.047  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.614  -1.753   0.592  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.652  -2.430   0.353  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.742  -1.406   0.727  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.033  -0.581   1.805  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.401  -0.496   1.297  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.818  -3.150  -0.781  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.355   0.094   0.491  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.733   0.032  -0.759  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.558  -0.708  -0.930  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.994  -1.376   0.157  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.613  -1.340   1.406  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.789  -0.601   1.571  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.264   1.577  -0.142  0.00  0.00    +0.292 C 
ATOM     15  N   LIG    1        6.539   0.814   0.744  0.00  0.00    -0.275 N 
ATOM     16  H   LIG    1        6.905   0.770   1.686  0.00  0.00    +0.156 HD
ATOM     17  O   LIG    1        7.029   1.795  -1.320  0.00  0.00    -0.260 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.424   2.684   0.928  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1        8.445   2.182   0.444  0.00  0.00    -0.011 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.074  -0.556  -0.417  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.966  -0.981  -1.333  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.350  -0.012  -0.406  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -3.919   0.132  -1.609  0.00  0.00    -0.215 NA
ATOM     24  C   LIG    1       -5.149   0.664  -1.666  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -5.844   1.058  -0.522  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -7.137   1.614  -0.606  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.740   1.778  -1.850  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.057   1.389  -2.998  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.168   0.857   0.668  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -5.774   0.838  -2.895  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1       -3.934   0.325   0.750  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5