REMARK  Name = BDB040473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233   1.309   0.620  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.043   1.525  -0.496  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.296   0.906  -0.610  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.206   1.309  -2.028  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.777   0.030   0.388  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.947  -0.170   1.512  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.413  -1.168   2.850  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.695   0.452   1.620  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.132  -0.667   0.286  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.331  -1.435  -1.019  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.428  -2.053  -1.580  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.613  -1.482  -1.511  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.734  -2.007  -2.367  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.770  -1.106  -0.878  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.869  -1.377  -1.351  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.615  -0.431   0.463  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.287   0.304   0.560  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.124   1.949   0.717  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.396   1.617  -0.138  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        2.116   1.137   0.058  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.025   0.126   0.142  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        3.694   2.784   0.114  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        5.750   1.310  -0.966  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        4.410   0.591  -0.701  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        3.901   0.060  -2.057  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.573  -0.532   0.307  0.00  0.00    +0.098 A 
ATOM     27  N   LIG    1        3.579  -1.418   0.496  0.00  0.00    -0.082 NA
ATOM     28  O   LIG    1        4.022  -2.291   1.470  0.00  0.00    -0.363 OA
ATOM     29  C   LIG    1        5.265  -1.932   1.865  0.00  0.00    +0.230 A 
ATOM     30  C   LIG    1        5.664  -0.824   1.167  0.00  0.00    +0.068 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5