REMARK  Name = BDB018496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.069  -0.908   1.195  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.665  -0.082   0.374  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.685   0.462   1.124  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1        1.629   0.008   2.407  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.579  -0.813   2.437  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -2.447  -5.128   1.417  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -2.429  -3.756   0.935  0.00  0.00    -0.318 N 
ATOM      8  C   LIG    1       -3.483  -3.299   0.155  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -4.463  -3.964  -0.169  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -3.384  -1.891  -0.296  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -2.325  -1.124   0.023  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1       -1.228  -1.678   0.838  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.344  -2.957   1.252  0.00  0.00    +0.098 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.389   0.270  -0.465  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.099   0.569  -1.805  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -2.121   1.892  -2.252  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.444   2.917  -1.365  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -2.469   4.547  -1.915  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.743   2.632  -0.034  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.715   1.310   0.417  0.00  0.00    +0.010 A 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   3  21
ATOM     21  C   LIG    1        2.704   1.387   0.735  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1        3.056   1.660  -0.604  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.992   2.680  -0.868  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        4.608   3.385   0.166  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.304   3.077   1.485  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.362   2.087   1.769  0.00  0.00    +0.028 A 
BRANCH  22  27
ATOM     27  C   LIG    1        2.603   0.902  -1.759  0.00  0.00    +0.181 A 
ATOM     28  N   LIG    1        2.943  -0.401  -2.009  0.00  0.00    -0.239 N 
ATOM     29  H   LIG    1        3.522  -1.035  -1.474  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        2.370  -0.815  -3.146  0.00  0.00    -0.046 NA
ATOM     31  N   LIG    1        1.712   0.240  -3.605  0.00  0.00    -0.023 NA
ATOM     32  N   LIG    1        1.858   1.316  -2.764  0.00  0.00    -0.108 NA
ENDBRANCH  22  27
ENDBRANCH   3  21
TORSDOF 4