REMARK  Name = BDB034511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.944   1.173   0.122  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.918   2.081   0.346  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.001   3.216   0.773  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.670   1.409  -0.031  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.989   0.152  -0.533  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        1.984  -0.696  -0.965  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        0.650  -0.266  -0.883  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.352   1.012  -0.377  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.371   1.867   0.057  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        4.467  -0.044  -0.525  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       10.336   1.353  -0.860  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        9.166   1.484  -0.511  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        8.244   2.074  -1.337  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.587   2.301  -2.261  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.877   1.939  -1.246  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.172   2.101  -2.240  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.346   1.573   0.150  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.246   0.502   0.758  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.671   1.029   0.842  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  O   LIG    1       -0.253  -1.189  -1.330  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.663  -0.917  -1.237  0.00  0.00    +0.190 C 
ATOM     22  C   LIG    1       -2.193  -1.248   0.193  0.00  0.00    +0.097 C 
ATOM     23  C   LIG    1       -2.024  -2.765   0.454  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -2.705  -3.630  -0.605  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -2.223  -3.283  -2.009  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -2.352  -1.789  -2.303  0.00  0.00    +0.046 C 
BRANCH  22  27
ATOM     27  N   LIG    1       -3.614  -0.858   0.340  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -3.775   0.617   0.391  0.00  0.00    +0.090 C 
ATOM     29  C   LIG    1       -4.764   0.429   1.559  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -4.058  -0.927   1.757  0.00  0.00    +0.090 C 
BRANCH  29  31
ATOM     31  C   LIG    1       -6.224   0.248   1.053  0.00  0.00    -0.005 C 
ATOM     32  C   LIG    1       -7.201   0.031   2.231  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -7.441   1.552   2.261  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -6.909   1.614   0.817  0.00  0.00    +0.004 C 
ENDBRANCH  29  31
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 5