REMARK  Name = BDB012365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386   1.060   0.888  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.549  -0.049   1.345  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -1.938   0.173   1.507  0.00  0.00    -0.039 A 
ATOM      4  C   LIG    1       -2.753  -0.881   1.964  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -2.210  -2.126   2.268  0.00  0.00    +0.041 A 
ATOM      6 CL   LIG    1       -3.231  -3.396   2.816  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1       -0.845  -2.343   2.136  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.022  -1.310   1.687  0.00  0.00    +0.008 A 
BRANCH   3   9
ATOM      9  C   LIG    1       -2.601   1.503   1.203  0.00  0.00    +0.040 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.032   1.668  -0.261  0.00  0.00    +0.040 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.215   0.810  -0.649  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1       -5.519   1.216  -0.328  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -6.610   0.415  -0.668  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -6.397  -0.791  -1.325  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -7.446  -1.559  -1.649  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -5.114  -1.212  -1.648  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -4.021  -0.412  -1.311  0.00  0.00    +0.006 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        1.655   0.601   0.406  0.00  0.00    -0.471 OA
BRANCH  18  20
ATOM     19  N   LIG    1        2.956  -0.112  -1.483  0.00  0.00    -0.182 N 
ATOM     20  C   LIG    1        1.732   0.203  -0.871  0.00  0.00    +0.220 A 
ATOM     21  C   LIG    1        0.762  -0.011  -1.833  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1        1.450  -0.423  -2.977  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1        2.762  -0.479  -2.788  0.00  0.00    -0.170 NA
BRANCH  19  26
ATOM     24  C   LIG    1        5.878   0.247   0.824  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1        4.553   0.255   0.370  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        4.297  -0.097  -0.949  0.00  0.00    +0.158 A 
ATOM     27  N   LIG    1        5.311  -0.445  -1.792  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1        6.577  -0.445  -1.329  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        6.913  -0.108  -0.037  0.00  0.00    +0.035 A 
BRANCH  24  31
ATOM     30  O   LIG    1        5.290   0.954   3.045  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1        6.135   0.625   2.234  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1        7.438   0.574   2.559  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        7.459   0.842   3.502  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 9