REMARK  Name = BDB043738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1        0.928  -1.946   1.227  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.157  -0.694   0.663  0.00  0.00    +0.088 A 
ATOM      3  N   LIG    1       -0.083  -0.288   0.152  0.00  0.00    -0.291 N 
ATOM      4  C   LIG    1       -1.007  -1.271   0.517  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1       -0.402  -2.284   1.106  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.431  -0.000   0.466  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        2.989   0.113  -0.814  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.195   0.789  -0.991  0.00  0.00    +0.042 A 
ATOM      9 CL   LIG    1        4.865   0.937  -2.569  0.00  0.00    -0.084 Cl
ATOM     10  C   LIG    1        4.861   1.349   0.098  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        4.318   1.227   1.377  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.109   0.553   1.561  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   3  13
ATOM     13  C   LIG    1       -0.344   0.884  -0.623  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        0.262   2.104  -0.294  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        0.008   3.236  -1.070  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        0.750   4.733  -0.658  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -0.845   3.168  -2.169  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.453   1.957  -2.497  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -1.205   0.817  -1.728  0.00  0.00    +0.026 A 
ENDBRANCH   3  13
BRANCH   4  20
ATOM     20  C   LIG    1       -2.466  -1.212   0.352  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1       -3.143  -2.325  -0.168  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -4.529  -2.302  -0.331  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.255  -1.171   0.037  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.598  -0.068   0.579  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.211  -0.091   0.743  0.00  0.00    +0.011 A 
ENDBRANCH   4  20
BRANCH   1  27
ATOM     26  O   LIG    1        3.102  -2.602   2.005  0.00  0.00    -0.243 OA
ATOM     27  C   LIG    1        1.912  -2.837   1.840  0.00  0.00    +0.357 C 
BRANCH  27  28
ATOM     28  OXT LIG    1        1.411  -4.025   2.254  0.00  0.00    -0.476 OA
ATOM     29  HXT LIG    1        2.188  -4.482   2.629  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5