REMARK  Name = BDB002616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.723   0.173   1.730  0.00  0.00    +0.224 A 
ATOM      2  N   LIG    1       -0.960   1.021   1.051  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1        0.192   1.365   1.630  0.00  0.00    +0.150 A 
ATOM      4  N   LIG    1        0.601   0.918   2.817  0.00  0.00    -0.198 NA
ATOM      5  C   LIG    1       -0.226   0.075   3.408  0.00  0.00    +0.217 A 
ATOM      6  N   LIG    1       -1.395  -0.313   2.924  0.00  0.00    -0.181 NA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        0.145  -0.411   4.645  0.00  0.00    -0.327 N 
ATOM      8  H   LIG    1        0.804   0.213   5.089  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1       -0.666  -0.687   5.180  0.00  0.00    +0.145 HD
ENDBRANCH   5   7
BRANCH   1  10
ATOM     10  N   LIG    1       -2.959  -0.254   1.245  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1       -3.338  -0.920   1.902  0.00  0.00    +0.155 HD
BRANCH  10  14
ATOM     12  C   LIG    1       -5.707  -1.124   1.077  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -4.971  -0.563  -0.117  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -3.614  -0.155   0.004  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -2.986   0.404  -1.121  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.636   0.508  -2.351  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -4.941   0.057  -2.481  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -5.604  -0.478  -1.376  0.00  0.00    +0.046 A 
ATOM     19 CL   LIG    1       -7.223  -1.036  -1.637  0.00  0.00    -0.083 Cl
ENDBRANCH  10  14
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1        1.118   2.300   0.865  0.00  0.00    +0.161 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.059   1.695  -0.102  0.00  0.00    -0.291 NA
ATOM     22  C   LIG    1        3.024   0.797   0.553  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        3.975   0.136  -0.426  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.643   0.022  -1.788  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        4.522  -0.625  -2.667  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.711  -1.178  -2.193  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.033  -1.085  -0.842  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.376   0.653  -2.311  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        5.169  -0.435   0.040  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        1.377   0.991  -1.195  0.00  0.00    +0.090 C 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5