REMARK  Name = BDB051618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.693   0.622   0.330  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.224   1.150  -0.874  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.147   1.162  -1.168  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        2.069   0.638  -0.254  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        1.601   0.107   0.955  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.232   0.101   1.241  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.468   0.637  -0.525  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        4.338   0.098   0.369  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        5.569   0.273  -0.138  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        5.442   0.910  -1.424  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        6.458   1.256  -2.307  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        7.723   0.904  -1.796  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.917   0.271  -0.530  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.851  -0.071   0.345  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        4.111   1.126  -1.642  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1        7.070  -0.706   1.654  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        6.396  -0.457   2.642  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        8.098  -1.611   1.721  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        8.480  -2.039   0.891  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        8.152  -2.137   2.584  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.144   1.040  -0.023  0.00  0.00    +0.222 C 
ATOM     22  N   LIG    1       -2.054   0.574   0.697  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1       -2.246   0.177   1.609  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -3.103   1.581  -1.123  0.00  0.00    -0.275 OA
BRANCH  21  28
ATOM     25  C   LIG    1       -6.488  -2.411   0.961  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -6.203  -0.984   0.827  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1       -4.788  -0.736   0.541  0.00  0.00    +0.096 C 
ATOM     28  C   LIG    1       -4.468   0.763   0.691  0.00  0.00    +0.089 C 
ATOM     29  C   LIG    1       -5.609   1.660   0.176  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -6.498   0.911  -0.809  0.00  0.00    +0.016 C 
ATOM     31  C   LIG    1       -7.075  -0.369  -0.188  0.00  0.00    +0.084 C 
ENDBRANCH  21  28
ENDBRANCH   1  22
TORSDOF 4