REMARK  Name = BDB006740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.780  -0.479   0.262  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.039   0.734   0.736  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1        1.370   0.304   0.609  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.439  -0.973   0.087  0.00  0.00    +0.154 A 
ATOM      5  N   LIG    1        2.676  -1.426  -0.063  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        3.469  -0.390   0.400  0.00  0.00    -0.187 N 
ATOM      7  C   LIG    1        4.899  -0.432   0.327  0.00  0.00    +0.337 C 
ATOM      8  N   LIG    1        5.498  -1.665   0.047  0.00  0.00    -0.288 N 
ATOM      9  C   LIG    1        6.899  -1.662  -0.329  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1        4.905  -2.977   0.281  0.00  0.00    +0.133 C 
ATOM     11  O   LIG    1        5.521   0.616   0.477  0.00  0.00    -0.248 OA
ATOM     12  C   LIG    1        2.667   0.688   0.840  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.218   1.941   1.413  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        0.118  -1.509  -0.159  0.00  0.00    +0.272 C 
ATOM     15  O   LIG    1       -0.129  -2.616  -0.610  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  24
ATOM     16  C   LIG    1       -5.114   1.641   1.469  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1       -4.351   0.481   0.881  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -5.010  -0.672   0.354  0.00  0.00    +0.164 A 
ATOM     19  N   LIG    1       -4.231  -1.688  -0.165  0.00  0.00    -0.285 N 
ATOM     20  C   LIG    1       -5.128  -2.647  -0.586  0.00  0.00    +0.135 A 
ATOM     21  N   LIG    1       -6.355  -2.235  -0.337  0.00  0.00    -0.134 NA
ATOM     22  C   LIG    1       -4.741  -3.929  -1.216  0.00  0.00    +0.088 C 
ATOM     23  C   LIG    1       -2.841  -1.652  -0.206  0.00  0.00    +0.118 A 
ATOM     24  C   LIG    1       -2.172  -0.584   0.276  0.00  0.00    +0.055 A 
ATOM     25  N   LIG    1       -6.280  -0.996   0.254  0.00  0.00    -0.129 NA
ATOM     26  C   LIG    1       -2.995   0.503   0.838  0.00  0.00    +0.032 A 
ENDBRANCH   1  24
BRANCH   2  27
ATOM     27  C   LIG    1       -0.177   1.958  -0.152  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1       -0.203   3.236   0.437  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -0.328   4.386  -0.347  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.429   4.272  -1.731  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -0.584   5.687  -2.696  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -0.404   3.019  -2.337  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -0.277   1.869  -1.554  0.00  0.00    +0.007 A 
ENDBRANCH   2  27
TORSDOF 2