REMARK  Name = BDB039577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.550  -1.538  -0.387  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.268  -1.533  -1.842  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.252  -1.598  -2.132  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.911  -2.765  -1.522  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.365  -3.096  -0.195  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.423  -1.945   0.473  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.328   1.269   0.951  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -4.742   0.335   0.056  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -3.824  -0.586  -0.352  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -4.367  -1.635  -1.283  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -2.475  -0.600   0.074  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.118   0.387   1.007  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -3.042   1.331   1.452  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -7.688   2.996   1.039  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -6.606   2.072   0.845  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -6.669   1.338   0.142  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -5.355   2.269   1.391  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -5.076   3.179   2.163  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        2.371  -2.769  -1.623  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.111  -1.691  -0.855  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.403  -0.459  -1.465  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        4.080   0.532  -0.755  0.00  0.00    +0.052 A 
ATOM     23  N   LIG    1        4.359   1.770  -1.387  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1        4.071   1.933  -2.341  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        5.027   2.836  -0.789  0.00  0.00    +0.277 A 
ATOM     26  C   LIG    1        5.445   2.599   0.593  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1        5.179   1.398   1.220  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1        5.701   1.520   2.475  0.00  0.00    -0.344 N 
ATOM     29  H   LIG    1        5.690   0.828   3.210  0.00  0.00    +0.167 HD
ATOM     30  C   LIG    1        6.254   2.771   2.562  0.00  0.00    +0.197 A 
ATOM     31  N   LIG    1        6.116   3.449   1.442  0.00  0.00    -0.230 NA
ATOM     32  O   LIG    1        5.228   3.875  -1.413  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1        4.484   0.302   0.579  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        4.211  -0.920   1.187  0.00  0.00    +0.012 A 
ATOM     35  C   LIG    1        3.531  -1.910   0.469  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4