REMARK  Name = BDB049543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.089   0.115  -3.095  0.00  0.00    +0.072 C 
ATOM      2  C   LIG    1       -0.170   0.096  -2.634  0.00  0.00    +0.072 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.546   0.195  -1.208  0.00  0.00    +0.240 C 
ATOM      4  N   LIG    1       -1.343  -0.820  -0.708  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.686  -0.795   0.716  0.00  0.00    +0.116 C 
ATOM      6  C   LIG    1       -3.111  -1.313   1.021  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -3.561  -2.433   0.062  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1       -2.374  -3.097  -0.621  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1       -1.592  -2.068  -1.433  0.00  0.00    +0.108 C 
ATOM     10  O   LIG    1       -0.155   1.161  -0.556  0.00  0.00    -0.271 OA
BRANCH   6  11
ATOM     11  C   LIG    1       -4.179  -0.231   1.092  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -4.200   0.860   0.211  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.207   1.825   0.293  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.212   1.708   1.250  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.213   0.625   2.125  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.206  -0.340   2.044  0.00  0.00    +0.004 A 
ENDBRANCH   6  11
ENDBRANCH   2   3
BRANCH   1  19
ATOM     17  N   LIG    1        2.399   0.926  -1.221  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1        1.516   1.352  -0.938  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        2.384   0.163  -2.358  0.00  0.00    +0.241 C 
ATOM     20  O   LIG    1        3.326  -0.447  -2.854  0.00  0.00    -0.270 OA
BRANCH  17  23
ATOM     21  C   LIG    1        5.804   1.002   0.346  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.787   0.715  -0.578  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1        3.486   1.172  -0.357  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        3.218   1.930   0.791  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        4.229   2.230   1.706  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.524   1.767   1.484  0.00  0.00    +0.013 A 
BRANCH  21  30
ATOM     27  N   LIG    1        7.975   0.256   1.158  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        7.585   0.133   2.082  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        8.844  -0.221   0.955  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1        7.176   0.499   0.074  0.00  0.00    +0.242 C 
ATOM     31  O   LIG    1        7.577   0.276  -1.060  0.00  0.00    -0.270 OA
ENDBRANCH  21  30
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 5