REMARK  Name = BDB012583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.622  -0.241   0.361  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.366   0.784   0.844  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.562  -0.072   0.998  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.354  -1.364   0.623  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -2.559  -2.042   0.788  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -3.486  -1.137   1.296  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -4.914  -1.335   1.670  0.00  0.00    +0.064 C 
ATOM      8  N   LIG    1       -2.842   0.090   1.417  0.00  0.00    -0.348 N 
ATOM      9  C   LIG    1       -3.432   1.321   1.893  0.00  0.00    +0.149 C 
ATOM     10  C   LIG    1        0.011  -1.526   0.204  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        0.503  -2.576  -0.177  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     12  C   LIG    1        4.358   3.016   0.789  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        3.853   1.665   0.353  0.00  0.00    -0.004 A 
ATOM     14  C   LIG    1        4.707   0.697  -0.260  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        4.161  -0.522  -0.614  0.00  0.00    -0.285 N 
ATOM     16  C   LIG    1        5.205  -1.236  -1.163  0.00  0.00    +0.135 A 
ATOM     17  N   LIG    1        6.296  -0.497  -1.142  0.00  0.00    -0.134 NA
ATOM     18  C   LIG    1        5.085  -2.615  -1.686  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1        2.826  -0.857  -0.417  0.00  0.00    +0.118 A 
ATOM     20  C   LIG    1        1.976   0.027   0.147  0.00  0.00    +0.055 A 
ATOM     21  N   LIG    1        5.983   0.716  -0.575  0.00  0.00    -0.129 NA
ATOM     22  C   LIG    1        2.554   1.323   0.543  0.00  0.00    +0.032 A 
ENDBRANCH   1  20
BRANCH   2  23
ATOM     23  C   LIG    1       -0.600   1.927  -0.133  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -0.783   1.698  -1.509  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -1.009   2.761  -2.386  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.061   4.063  -1.897  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -1.343   5.373  -2.976  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -0.890   4.312  -0.538  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.664   3.249   0.341  0.00  0.00    +0.007 A 
ENDBRANCH   2  23
BRANCH   5  30
ATOM     30  C   LIG    1       -2.809  -3.537   0.493  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1       -2.376  -4.115  -0.830  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -3.834  -3.920  -0.544  0.00  0.00    +0.009 C 
ENDBRANCH   5  30
TORSDOF 3