REMARK  Name = BDB034466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.227  -1.059  -0.339  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.671   0.171   0.461  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -2.026   0.616   0.128  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1       -2.168   0.593  -0.882  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -3.072  -0.195   0.764  0.00  0.00    +0.118 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -5.566  -0.604   0.354  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -4.475   0.285   0.436  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -4.717   1.666   0.274  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -5.982   2.147  -0.059  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -7.031   1.255  -0.238  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -6.817  -0.110  -0.048  0.00  0.00    +0.023 A 
BRANCH   6  12
ATOM     12  N   LIG    1       -5.409  -1.998   0.466  0.00  0.00    -0.358 N 
ATOM     13  H   LIG    1       -6.284  -2.483   0.643  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -4.696  -2.276   1.131  0.00  0.00    +0.142 HD
ENDBRANCH   6  12
ENDBRANCH   5   7
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.196  -1.496   0.018  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.163  -0.494  -0.421  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        1.989  -0.184  -1.375  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.544  -0.687  -0.213  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.480   0.244  -0.753  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        5.857   0.021  -0.507  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        6.797   0.893  -1.036  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        6.414   1.997  -1.793  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        5.072   2.251  -2.031  0.00  0.00    +0.021 A 
ATOM     24 CL   LIG    1        7.611   3.057  -2.429  0.00  0.00    -0.083 Cl
ATOM     25  N   LIG    1        6.309  -1.001   0.231  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        5.401  -1.830   0.778  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        4.112   1.383  -1.513  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.036  -1.709   0.599  0.00  0.00    +0.043 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8