REMARK  Name = BDB045055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.303   2.354   1.352  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1        1.683   2.477   1.378  0.00  0.00    -0.256 N 
ATOM      3  H   LIG    1        2.121   2.808   0.527  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1       -0.376   1.930   2.288  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.515   1.796   2.226  0.00  0.00    +0.188 C 
ATOM      6  N   LIG    1        3.774   1.804   1.963  0.00  0.00    -0.270 NA
ATOM      7  H   LIG    1        3.983   2.365   1.137  0.00  0.00    +0.190 HD
BRANCH   5   8
ATOM      8  N   LIG    1        1.990   1.117   3.280  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.973   1.186   3.328  0.00  0.00    +0.163 HD
BRANCH   8  10
ATOM     10  C   LIG    1        2.450  -0.224   3.587  0.00  0.00    +0.151 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.924  -1.188   2.544  0.00  0.00    -0.028 A 
ATOM     12  C   LIG    1        2.731  -1.562   1.458  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        2.232  -2.400   0.459  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.921  -2.863   0.535  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        0.305  -3.889  -0.700  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.103  -2.492   1.600  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.602  -1.656   2.601  0.00  0.00    +0.007 A 
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   5   8
ENDBRANCH   2   5
BRANCH   1  18
ATOM     18  C   LIG    1       -0.333   2.784   0.043  0.00  0.00    +0.133 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -2.716   0.203  -1.427  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1       -1.882  -0.593  -2.230  0.00  0.00    +0.164 A 
ATOM     21  C   LIG    1       -0.514  -0.320  -2.285  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1        0.034   0.761  -1.565  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1       -0.795   1.597  -0.783  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1       -2.171   1.284  -0.722  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  N   LIG    1        1.492   0.961  -1.683  0.00  0.00    +0.057 N 
ATOM     26  O   LIG    1        1.966   2.060  -1.357  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        2.173   0.019  -2.111  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
BRANCH  19  29
ATOM     28  C   LIG    1       -4.876   0.483  -0.441  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -4.045  -0.137  -1.413  0.00  0.00    -0.491 OA
ENDBRANCH  19  29
BRANCH  20  30
ATOM     30  O   LIG    1       -2.496  -1.621  -2.902  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -1.737  -2.328  -3.873  0.00  0.00    +0.277 C 
ENDBRANCH  20  30
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 9