REMARK  Name = BDB029681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.899  -0.624  -1.161  0.00  0.00    -0.322 N 
ATOM      2  C   LIG    1        1.554   0.322  -2.251  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.127   0.824  -2.413  0.00  0.00    +0.079 C 
ATOM      4  N   LIG    1       -0.927   0.400  -1.461  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1       -0.532  -0.797  -0.691  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        1.232   1.765  -2.010  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        0.886  -0.724  -0.085  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.879  -1.040   0.095  0.00  0.00    +0.127 A 
ATOM      9  N   LIG    1        5.068  -2.119   0.170  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        3.785  -1.965  -0.256  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1        3.241  -0.756  -0.735  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        4.134   0.323  -0.809  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.460   0.190  -0.392  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        9.180  -0.313   1.812  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.872  -0.169   1.220  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.269   0.552   1.593  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.293  -1.239   0.553  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.878  -2.298   0.352  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
BRANCH  10  19
ATOM     19  C   LIG    1        3.016  -3.183  -0.227  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        2.364  -4.145  -0.186  0.00  0.00    -0.189 NA
ENDBRANCH  10  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -1.466   1.492  -0.642  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.826   1.192  -0.060  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1       -3.869   0.682  -0.846  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -5.106   0.449  -0.260  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -5.273   0.742   1.092  0.00  0.00    +0.088 A 
ATOM     26  C   LIG    1       -6.572   0.498   1.710  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -7.594   0.002   0.992  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -7.412  -0.310  -0.463  0.00  0.00    +0.252 A 
ATOM     29  O   LIG    1       -8.326  -0.762  -1.145  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -8.948  -0.271   1.566  0.00  0.00    +0.049 C 
ATOM     31  N   LIG    1       -4.298   1.246   1.877  0.00  0.00    -0.253 NA
ATOM     32  N   LIG    1       -6.174  -0.067  -1.001  0.00  0.00    -0.321 N 
ATOM     33  H   LIG    1       -6.064  -0.286  -1.982  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -3.102   1.462   1.281  0.00  0.00    +0.116 A 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5