REMARK  Name = BDB021767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.385  -0.264  -0.819  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.063   0.950  -0.668  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.436   0.833  -0.694  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.807  -0.079  -0.456  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.477   2.013  -0.498  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.396   1.873  -0.690  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -5.741   1.538  -0.436  0.00  0.00    +0.062 A 
ATOM      8 CL   LIG    1       -6.206  -0.100  -0.117  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1       -6.739   2.517  -0.432  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -6.404   3.845  -0.689  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -5.078   4.184  -0.952  0.00  0.00    +0.043 A 
ATOM     12 CL   LIG    1       -4.676   5.824  -1.284  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -4.077   3.208  -0.957  0.00  0.00    +0.044 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.818   0.638  -0.126  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.049  -0.050   0.925  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.536   0.133   0.771  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.077  -0.337  -0.610  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.877   0.386  -1.692  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.377   0.189  -1.464  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.301   0.510   0.023  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.989   1.617  -0.799  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.796   0.580   1.496  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.957  -0.746   1.156  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.314   0.513   1.716  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -2.005  -1.447  -1.425  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.415  -2.518  -0.438  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.679  -3.811  -0.921  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.094  -4.827  -0.058  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.259  -4.564   1.300  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.011  -3.286   1.793  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.596  -2.269   0.931  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7