REMARK  Name = BDB031533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.140   2.168   1.837  0.00  0.00    -0.287 NA
ATOM      2  C   LIG    1        0.616   0.906   1.624  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        0.243  -0.329   2.435  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        1.883   1.646   2.164  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1        0.862   2.609   2.826  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.469   2.039   2.438  0.00  0.00    +0.142 C 
BRANCH   6  15
ATOM      7  C   LIG    1       -5.656  -0.634  -0.849  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -5.313   0.383  -1.908  0.00  0.00    +0.255 A 
ATOM      9  O   LIG    1       -5.894   0.403  -2.989  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -4.320   1.293  -1.616  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1       -4.084   1.974  -2.326  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -3.678   1.284  -0.396  0.00  0.00    +0.137 A 
ATOM     13  N   LIG    1       -4.014   0.353   0.571  0.00  0.00    -0.223 N 
ATOM     14  N   LIG    1       -3.271   0.520   1.691  0.00  0.00    -0.169 NA
ATOM     15  C   LIG    1       -2.457   1.552   1.415  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1       -2.684   2.072   0.116  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -5.002  -0.589   0.327  0.00  0.00    +0.123 A 
BRANCH   7  19
ATOM     18  C   LIG    1       -6.263  -2.748  -2.062  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -6.744  -1.623  -1.156  0.00  0.00    +0.039 C 
ENDBRANCH   7  19
ENDBRANCH   6  15
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  O   LIG    1        2.767   2.263   1.193  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.581   1.464   0.437  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.849   0.119   0.661  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        4.668  -0.633  -0.115  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        5.254   0.005  -1.169  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        5.053   1.345  -1.469  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        4.202   2.081  -0.647  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.158  -0.826  -2.030  0.00  0.00    +0.262 C 
ATOM     28  N   LIG    1        6.301  -2.131  -1.606  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1        5.713  -2.411  -0.826  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1        7.019  -3.114  -2.369  0.00  0.00    +0.128 C 
ATOM     31  O   LIG    1        6.702  -0.362  -3.025  0.00  0.00    -0.269 OA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6