REMARK  Name = BDB007049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.630   1.119  -0.522  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.525   0.231  -0.988  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.570  -0.179  -0.146  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        2.636  -0.968  -0.580  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        2.654  -1.383  -1.924  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.728  -2.175  -2.352  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        4.729  -2.523  -1.452  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        4.622  -2.070  -0.150  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        1.611  -1.009  -2.785  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        3.603  -1.306   0.302  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.559  -0.217  -2.318  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        1.555   0.173   1.189  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        2.392  -0.212   1.535  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.183   2.571  -0.262  0.00  0.00    -0.003 A 
ATOM     15  C   LIG    1       -0.054   3.513  -1.310  0.00  0.00    +0.064 A 
ATOM     16 CL   LIG    1       -0.439   3.078  -2.950  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        0.381   4.825  -1.036  0.00  0.00    +0.060 A 
ATOM     18 CL   LIG    1        0.563   6.027  -2.271  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1        0.689   5.214   0.269  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        0.567   4.302   1.309  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.139   3.001   1.046  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  N   LIG    1       -1.265   0.547   0.678  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1       -0.532   0.226   1.311  0.00  0.00    +0.148 HD
BRANCH  22  27
ATOM     24  C   LIG    1       -4.110  -2.950   2.629  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -3.592  -2.209   1.435  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1       -2.666  -1.172   1.585  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -2.161  -0.513   0.463  0.00  0.00    +0.120 A 
ATOM     28  N   LIG    1       -2.564  -0.840  -0.780  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -3.448  -1.853  -0.914  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -3.978  -2.565   0.147  0.00  0.00    +0.023 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5