REMARK  Name = BDB039686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.158  -2.266   0.142  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.022  -1.275   1.219  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1       -1.443  -0.626   1.207  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -1.938  -1.814   2.065  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1       -2.142  -0.483  -0.064  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1       -1.681  -1.320  -1.190  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -0.471  -2.020   2.505  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -0.175  -1.623  -1.129  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.465   0.029  -0.142  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.035   0.767   0.907  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -5.284   1.302   0.926  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -6.044   1.099  -0.171  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -5.598   0.387  -1.275  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.304  -0.145  -1.252  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.421   1.690  -0.150  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -7.844   2.266  -1.341  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.141   2.498  -2.030  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -9.091   2.988  -1.388  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -8.111   1.669   0.863  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.490  -2.891   0.162  0.00  0.00    +0.120 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.660   1.023   0.077  0.00  0.00    +0.106 A 
ATOM     22  C   LIG    1        6.247   0.839   1.538  0.00  0.00    +0.271 A 
ATOM     23  O   LIG    1        6.863   1.386   2.441  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1        5.159   0.033   1.752  0.00  0.00    -0.319 N 
ATOM     25  H   LIG    1        4.867  -0.105   2.709  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.480  -0.576   0.692  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        4.924  -0.353  -0.619  0.00  0.00    +0.088 A 
ATOM     28  C   LIG    1        4.245  -0.968  -1.669  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        3.139  -1.787  -1.419  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        2.688  -2.002  -0.107  0.00  0.00    -0.031 A 
ATOM     31  C   LIG    1        3.378  -1.392   0.952  0.00  0.00    +0.032 A 
ATOM     32  N   LIG    1        6.029   0.464  -0.916  0.00  0.00    -0.245 NA
BRANCH  21  34
ATOM     33  C   LIG    1        7.409   3.378  -0.213  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        7.840   1.923  -0.195  0.00  0.00    +0.057 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5