REMARK  Name = BDB052738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.355   1.604   1.687  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -1.290   2.267   2.453  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.653   1.316   1.314  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -3.730   1.969   2.045  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -5.029   1.724   1.701  0.00  0.00    -0.302 N 
ATOM      6  C   LIG    1       -5.811   2.469   2.540  0.00  0.00    +0.112 A 
ATOM      7  C   LIG    1       -4.923   3.134   3.361  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -5.331   0.860   0.671  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -4.310   0.265   0.021  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -3.621   2.818   3.047  0.00  0.00    -0.233 NA
ATOM     11  N   LIG    1       -2.977   0.502   0.336  0.00  0.00    -0.227 NA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.580  -0.660  -1.101  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.747  -0.674  -2.220  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -3.906  -1.488  -3.295  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -4.944  -2.349  -3.250  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -5.824  -2.434  -2.185  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -5.635  -1.580  -1.097  0.00  0.00    +0.013 A 
ENDBRANCH   9  12
ENDBRANCH   1   3
BRANCH   1  21
ATOM     18  C   LIG    1        2.430   0.187   0.387  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        1.261  -0.393  -0.110  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -0.001   0.054   0.311  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -0.131   1.088   1.240  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.053   1.668   1.723  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.317   1.225   1.306  0.00  0.00    +0.025 A 
BRANCH  18  26
ATOM     24  O   LIG    1        5.221   0.828   1.209  0.00  0.00    -0.270 OA
ATOM     25  C   LIG    1        4.929   0.051   0.309  0.00  0.00    +0.248 C 
ATOM     26  N   LIG    1        3.657  -0.315  -0.093  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1        3.587  -1.073  -0.759  0.00  0.00    +0.155 HD
BRANCH  25  28
ATOM     28  C   LIG    1        6.034  -0.626  -0.427  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        7.198  -0.962   0.276  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        8.253  -1.597  -0.381  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.154  -1.888  -1.741  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.005  -1.538  -2.450  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.946  -0.903  -1.798  0.00  0.00    +0.013 A 
ENDBRANCH  25  28
ENDBRANCH  18  26
ENDBRANCH   1  21
TORSDOF 5