REMARK  Name = BDB006688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.887   3.051   2.371  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.975   1.769   1.634  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        0.942   0.954   1.163  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.525   0.800   1.105  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.648  -0.526   0.405  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.636  -1.057   0.071  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.929  -2.097  -0.492  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.556  -0.101   0.564  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        2.888   0.101   0.633  0.00  0.00    -0.253 N 
ATOM     10  N   LIG    1        3.174   1.229   1.338  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.871  -1.160   0.172  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.989  -2.318  -0.507  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.209  -2.936  -0.739  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -3.216  -4.182  -1.490  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.415  -2.407  -0.292  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -5.514  -2.922  -0.482  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.312  -1.125   0.470  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.594  -0.537   0.968  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.106  -0.569   0.672  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -1.033   2.000   0.328  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -1.590   3.086   1.030  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.063   4.211   0.350  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.984   4.265  -1.038  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.568   5.651  -1.874  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.435   3.205  -1.753  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.960   2.079  -1.075  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1        3.909  -0.849   0.175  0.00  0.00    +0.136 C 
ATOM     28  C   LIG    1        5.265  -0.196  -0.163  0.00  0.00    +0.112 C 
ATOM     29  N   LIG    1        5.293  -0.938  -1.447  0.00  0.00    -0.301 NA
ATOM     30  C   LIG    1        6.028  -2.195  -1.305  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1        3.834  -1.165  -1.332  0.00  0.00    +0.112 C 
ENDBRANCH   9  27
TORSDOF 3