REMARK  Name = BDB058450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.087  -0.981   0.945  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.739  -0.941   0.553  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.486  -2.075  -0.220  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.754  -2.325  -0.763  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.765  -1.389  -0.508  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.536  -0.239   0.285  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.666  -2.824  -0.291  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.809  -4.085  -0.960  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.253  -0.018   0.820  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.669  -2.172   0.450  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.816  -2.547   0.634  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.535   0.730   0.518  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.424   1.203   1.413  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.697   1.071  -0.212  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.858   1.535   0.434  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        5.976   1.811  -0.344  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.463   2.384   0.312  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.027   1.662  -1.686  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        4.908   1.218  -2.288  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        3.744   0.911  -1.604  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.890   1.716   1.850  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        4.849   1.861   3.001  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  -0.049   1.820  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.011   0.600   1.195  0.00  0.00    +0.111 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.755   2.533   0.012  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.738   1.375  -0.109  0.00  0.00    +0.017 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1       -4.652   1.472   2.199  0.00  0.00    +0.068 C 
ATOM     28  N   LIG    1       -5.136   2.165   2.993  0.00  0.00    -0.196 NA
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7