REMARK  Name = BDB034776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.379   4.598  -0.252  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.878   3.273  -0.474  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.545   2.874  -0.318  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.473   1.507  -0.579  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.713   0.806  -0.484  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.869   1.508  -0.113  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.779   2.900   0.146  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.762   1.060  -0.905  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.568   3.599   0.042  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.660   2.148  -0.814  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.868   2.112  -0.984  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.112   0.870   0.079  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        3.905   1.486  -0.093  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.433  -0.477   0.370  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.617  -1.068  -0.111  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        4.839  -2.410   0.169  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        6.241  -3.263  -0.358  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        3.992  -3.194   0.873  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        2.868  -2.613   1.328  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        2.551  -1.284   1.102  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.562  -0.312  -0.869  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        6.301   0.355  -1.465  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -2.142  -0.309  -1.147  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.306  -1.099   0.152  0.00  0.00    +0.059 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.617  -2.548  -0.111  0.00  0.00    +0.092 C 
ATOM     26  O   LIG    1       -2.024  -3.439   0.848  0.00  0.00    -0.368 OA
ATOM     27  C   LIG    1       -1.501  -3.501  -0.485  0.00  0.00    +0.195 C 
ATOM     28  C   LIG    1       -4.031  -2.900  -0.455  0.00  0.00    +0.044 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6