REMARK  Name = BDB006628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.664  -0.467   0.183  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.309  -0.317   0.281  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1        0.128  -1.101   0.409  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.939  -0.155   0.517  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.421   1.251   0.473  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.073  -2.318   0.445  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.026   1.015   0.342  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        2.254   1.666   0.307  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        2.546   3.117   0.360  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        3.251   0.774   0.216  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.294  -0.445   0.717  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.215   0.515   0.940  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.559   0.243   1.138  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.465   1.359   1.366  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.071  -1.051   1.129  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.254  -1.329   1.308  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.074  -2.134   0.875  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.598  -3.535   0.842  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.782  -1.815   0.684  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -0.823   2.058  -0.747  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -1.013   3.447  -0.619  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.380   4.224  -1.721  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.559   3.623  -2.964  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.011   4.581  -4.319  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.373   2.252  -3.115  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.005   1.474  -2.014  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  28
ATOM     27  C   LIG    1        4.782  -1.712   0.354  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1        3.436  -1.640  -0.015  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        2.875  -2.764  -0.634  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1        3.651  -3.900  -0.853  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.971  -3.877  -0.450  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1        5.549  -2.816   0.146  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1        6.764  -0.777   1.196  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        5.351  -0.681   1.067  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4