REMARK  Name = BDB046300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.348  -1.702  -1.005  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1        1.772  -0.459  -0.690  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1        2.917  -0.308   0.023  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        3.692  -1.390   0.430  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1        4.868  -1.187   1.162  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1        5.434  -1.971   1.457  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        5.330   0.059   1.524  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1        4.523   1.240   1.109  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        4.960   2.525   1.462  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        4.216   3.640   1.082  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.041   3.475   0.353  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.606   2.194   0.000  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1        6.369   0.184   2.165  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        3.281  -2.667   0.093  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        3.339   1.053   0.371  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.100  -2.819  -0.635  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1       -2.775  -0.824   0.559  0.00  0.00    +0.404 C 
ATOM     18  N   LIG    1       -2.326  -1.637  -0.445  0.00  0.00    -0.261 N 
ATOM     19  C   LIG    1       -2.090  -1.230  -1.839  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -0.660  -0.625  -1.941  0.00  0.00    +0.129 C 
ATOM     21  N   LIG    1        0.187  -1.834  -1.741  0.00  0.00    -0.309 N 
ATOM     22  C   LIG    1       -0.750  -2.971  -1.531  0.00  0.00    +0.094 C 
ATOM     23  C   LIG    1       -1.874  -2.587  -2.512  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -1.496  -2.808  -0.178  0.00  0.00    +0.134 C 
ATOM     25  O   LIG    1       -2.753  -1.139   1.741  0.00  0.00    -0.226 OA
BRANCH  17  26
ATOM     26  O   LIG    1       -3.233   0.355   0.070  0.00  0.00    -0.445 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -2.600   1.886   1.893  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -3.713   1.393   0.962  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1       -4.952   0.934   1.739  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -4.118   2.546   0.031  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  17  26
ENDBRANCH   1  21
TORSDOF 3