REMARK  Name = BDB006696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.524   0.461   0.105  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        1.212   0.164   0.049  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        0.303  -0.785   0.573  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.956  -0.431   0.000  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.835   0.786  -0.875  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.593  -1.692   1.333  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.611   1.070  -0.767  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.632   1.929  -1.185  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        1.550   3.109  -2.076  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        2.809   1.567  -0.633  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.150  -1.137   0.172  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.273  -2.197   0.995  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.464  -2.887   1.163  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -3.480  -4.015   2.084  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.635  -2.537   0.500  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -5.709  -3.118   0.631  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.524  -1.370  -0.428  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.766  -0.979  -1.164  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.344  -0.739  -0.561  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   1  24
ATOM     20  C   LIG    1        7.505  -1.488   0.019  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        6.182  -2.193   0.162  0.00  0.00    +0.213 C 
ATOM     22  N   LIG    1        5.157  -1.415   0.636  0.00  0.00    -0.298 N 
ATOM     23  C   LIG    1        4.970   0.028   0.542  0.00  0.00    +0.136 C 
ATOM     24  C   LIG    1        3.508  -0.239   0.940  0.00  0.00    +0.142 C 
ATOM     25  C   LIG    1        3.732  -1.699   0.511  0.00  0.00    +0.136 C 
ATOM     26  O   LIG    1        6.040  -3.375  -0.141  0.00  0.00    -0.276 OA
ENDBRANCH   1  24
BRANCH   5  27
ATOM     27  C   LIG    1       -1.536   2.032  -0.366  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1       -1.671   2.317   1.005  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.319   3.478   1.435  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.838   4.369   0.499  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -3.635   5.798   1.028  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -2.714   4.109  -0.863  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -2.067   2.948  -1.294  0.00  0.00    +0.007 A 
ENDBRANCH   5  27
TORSDOF 3