REMARK  Name = BDB012302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.324  -2.339   0.436  0.00  0.00    -0.219 N 
ATOM      2  C   LIG    1       -0.100  -2.250   1.115  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.169  -3.523   1.588  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.855  -4.330   1.097  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1       -1.729  -3.644   0.371  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -2.898   0.923  -0.503  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.045   0.009   0.130  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.167  -1.338  -0.175  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1       -3.119  -1.774  -1.049  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -3.930  -0.876  -1.643  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -3.856   0.478  -1.409  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -3.562   3.227  -0.697  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -2.829   2.377  -0.227  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -1.837   2.698   0.621  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -1.918   3.671   0.722  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        0.797  -1.058   1.246  0.00  0.00    +0.060 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.412  -0.635  -0.092  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.297   0.576   0.063  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        3.644   0.431   0.422  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.457   1.553   0.585  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.932   2.829   0.395  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.593   2.985   0.041  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        1.778   1.865  -0.122  0.00  0.00    +0.003 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6