REMARK  Name = BDB057220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.463   1.008   0.891  0.00  0.00    +0.012 A 
ATOM      2  C   LIG    1       -1.381   2.004   0.520  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -2.661   1.639   0.094  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -3.025   0.291  -0.005  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.127  -0.719   0.347  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.861  -0.343   0.815  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.466  -2.134   0.249  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -1.617  -3.148   0.696  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -2.272  -4.248   0.445  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -2.064  -5.695   0.639  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -3.496  -6.246   0.414  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.232  -5.186  -0.432  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -3.469  -3.993  -0.146  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -3.634  -2.667  -0.287  0.00  0.00    +0.115 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  C   LIG    1        0.929   1.331   1.392  0.00  0.00    +0.146 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.222   1.592  -0.782  0.00  0.00    +0.247 C 
ATOM     17  N   LIG    1        1.775   2.073   0.447  0.00  0.00    -0.293 N 
ATOM     18  O   LIG    1        2.884   2.249  -1.583  0.00  0.00    -0.270 OA
BRANCH  16  21
ATOM     19  C   LIG    1        2.117  -2.171  -0.883  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.483  -0.870  -0.537  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1        1.881   0.215  -1.179  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        0.973   0.017  -2.220  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        0.622  -1.282  -2.579  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        1.185  -2.373  -1.906  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1        2.175  -4.457  -0.263  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        2.734  -3.153  -0.158  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  16  21
BRANCH  17  27
ATOM     27  C   LIG    1        2.286   3.362   0.895  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.454   3.164   1.819  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        4.833   2.895   1.274  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        4.528   4.218   1.921  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH  17  27
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   2  31
ATOM     31  O   LIG    1       -0.985   3.306   0.667  0.00  0.00    -0.489 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -1.423   4.252  -0.319  0.00  0.00    +0.167 C 
ATOM     33  C   LIG    1       -1.050   5.635   0.209  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -0.738   4.009  -1.663  0.00  0.00    +0.051 C 
ENDBRANCH  31  32
ENDBRANCH   2  31
TORSDOF 9