REMARK  Name = BDB048155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.194  -0.032   1.780  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1       -2.037  -0.644   0.863  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1       -3.096  -1.367   1.285  0.00  0.00    -0.217 NA
ATOM      4  C   LIG    1       -3.307  -1.472   2.614  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -4.503  -2.251   3.065  0.00  0.00    +0.088 C 
ATOM      6  N   LIG    1       -2.549  -0.891   3.560  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1       -1.507  -0.163   3.114  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   1   9
ATOM      8  N   LIG    1        1.057   0.150   0.772  0.00  0.00    -0.293 N 
ATOM      9  C   LIG    1       -0.031   0.774   1.400  0.00  0.00    +0.252 C 
ATOM     10  O   LIG    1       -0.079   1.971   1.668  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.173   0.984   0.274  0.00  0.00    +0.090 C 
ATOM     12  C   LIG    1        2.922   1.787   1.367  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1        4.071   2.532   0.822  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1        4.735   1.874   0.415  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        3.622   3.465  -0.216  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1        2.918   2.745  -1.367  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        1.736   1.913  -0.871  0.00  0.00    +0.025 C 
ENDBRANCH   8  11
BRANCH   8  19
ATOM     18  C   LIG    1        2.142  -1.716   2.002  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        1.288  -1.303   0.813  0.00  0.00    +0.105 C 
ENDBRANCH   8  19
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  N   LIG    1       -1.857  -0.453  -0.515  0.00  0.00    -0.321 N 
ATOM     21  H   LIG    1       -0.875  -0.493  -0.777  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.661  -1.306  -1.383  0.00  0.00    +0.177 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.266  -1.187  -2.817  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1       -1.044  -1.698  -3.155  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1       -0.879  -1.478  -4.485  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -1.974  -0.830  -5.006  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -2.871  -0.637  -3.928  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6