REMARK  Name = BDB058458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.187  -1.251  -0.440  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.909  -0.870  -0.006  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.750  -1.324   1.304  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.407  -1.101   2.014  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.430  -0.395   1.366  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.287   0.082   0.041  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.924  -1.987   1.678  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -2.161  -2.602   2.951  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.090  -0.170  -0.654  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.834  -1.958   0.601  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.952  -2.447   0.569  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.324   0.760  -0.635  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.976   1.413  -1.335  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.727   0.743  -0.459  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.513   1.877  -0.738  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        5.879   1.802  -0.500  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        6.961   3.110  -0.796  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.511   0.710  -0.015  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.745  -0.364   0.247  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.374  -0.392   0.049  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.925   3.072  -1.251  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.395   4.010  -1.685  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.761  -1.010  -1.737  0.00  0.00    +0.127 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.864   0.053  -1.751  0.00  0.00    +0.021 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -3.373   1.883  -0.039  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -3.377   1.484  -1.507  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6