REMARK  Name = BDB012332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.799  -0.612   1.181  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.292  -1.252   0.585  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        1.132  -1.609   1.622  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.489  -1.178   2.789  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -0.675  -0.584   2.545  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.033   1.134   0.700  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.929   0.557   1.330  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -1.938  -0.019   0.537  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -2.018  -0.030  -0.821  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -3.099   0.534  -1.400  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.124   1.124  -0.690  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -6.120   2.290   0.980  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.132   1.768   1.463  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.943   1.717   2.792  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.731   2.164   3.167  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.366  -1.411  -0.743  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.583  -1.928  -1.283  0.00  0.00    +0.269 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.643  -0.862  -1.404  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        3.969  -1.144  -1.067  0.00  0.00    +0.131 A 
ATOM     20  F   LIG    1        4.295  -2.362  -0.609  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.971  -0.187  -1.188  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        4.645   1.079  -1.663  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        5.872   2.275  -1.818  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.331   1.387  -2.015  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.333   0.417  -1.891  0.00  0.00    +0.011 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6