REMARK  Name = BDB046139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.786  -1.003   0.648  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -1.846  -0.569  -0.124  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1       -1.767  -0.150  -1.509  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1       -2.711   0.998  -1.832  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -4.093   0.576  -1.921  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -4.635   0.876  -2.724  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.894   0.135  -0.900  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -4.328  -0.236   0.417  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -5.205  -0.333   1.517  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.755  -0.694   2.786  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.407  -0.985   2.999  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.517  -0.911   1.917  0.00  0.00    +0.090 A 
ATOM     13  O   LIG    1       -6.105   0.061  -1.096  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.978  -0.540   0.656  0.00  0.00    +0.081 A 
ATOM     15  N   LIG    1       -1.172  -1.167   1.898  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        2.948  -0.650   0.257  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        1.631  -0.476   0.712  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        0.577  -1.215   0.164  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        0.850  -2.159  -0.835  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.155  -2.342  -1.293  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.199  -1.589  -0.753  0.00  0.00    +0.005 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.074   0.162   0.861  0.00  0.00    +0.119 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.892   2.349   1.436  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        3.953   1.606   0.594  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1        4.199   1.915  -0.817  0.00  0.00    +0.104 C 
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 3