REMARK  Name = BDB043211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.149  -0.305  -0.130  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        0.231  -1.279  -0.070  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.065  -0.953  -0.195  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.436   0.359  -0.419  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -0.446   1.313  -0.466  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        0.847   0.983  -0.319  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.048  -1.965  -0.148  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -3.082  -1.732   0.887  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -4.177  -2.823   0.813  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.632  -4.195   0.916  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.698  -5.185   0.784  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.609  -4.386  -0.136  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.482  -3.329  -0.068  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        2.463  -0.740   0.023  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        2.456  -1.741   0.153  0.00  0.00    +0.155 HD
BRANCH  14  18
ATOM     16  C   LIG    1        6.146  -0.337   0.241  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        4.861  -0.894   0.220  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1        3.711  -0.108   0.029  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        3.891   1.266  -0.141  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        5.168   1.835  -0.123  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        6.295   1.036   0.067  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        8.480  -0.723   0.466  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        7.156  -1.239   0.437  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  N   LIG    1       -0.680   2.675  -0.669  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1        0.219   3.140  -0.675  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -1.808   3.400  -0.808  0.00  0.00    +0.146 A 
ATOM     27  N   LIG    1       -3.073   2.975  -0.775  0.00  0.00    -0.158 NA
ATOM     28  N   LIG    1       -3.809   4.079  -0.964  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1       -4.819   3.984  -0.980  0.00  0.00    +0.189 HD
ATOM     30  C   LIG    1       -3.067   5.215  -1.112  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1       -3.679   6.543  -1.328  0.00  0.00    +0.065 C 
ATOM     32  C   LIG    1       -1.758   4.802  -1.014  0.00  0.00    +0.068 A 
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 6