REMARK  Name = BDB023949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.503   4.585   1.933  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.261   3.812   2.296  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.134   2.528   1.781  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.942   1.777   2.224  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.724   0.587   1.358  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.637  -0.323   1.287  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.855  -1.252   0.342  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -3.050  -0.934  -0.196  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.615   0.152   0.400  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.900   0.819   0.086  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.278   1.745   1.262  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.404   4.325   3.016  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.416  -0.329   2.089  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.872  -0.209   1.496  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.010  -0.205   2.322  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.284  -0.079   1.743  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.438   0.038   0.363  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.356   0.054  -0.438  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        1.859  -0.321   3.715  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        0.596  -0.444   4.291  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.127  -0.074   0.125  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -0.537  -0.449   3.482  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        4.681   0.179  -0.215  0.00  0.00    -0.315 N 
ATOM     24  C   LIG    1        4.778   0.253  -1.671  0.00  0.00    +0.113 C 
ATOM     25  C   LIG    1        6.298   0.276  -1.928  0.00  0.00    -0.018 C 
ATOM     26  C   LIG    1        6.863   1.699  -1.782  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        6.647  -0.270  -3.313  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1        6.814  -0.642  -0.809  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1        5.900  -0.346   0.384  0.00  0.00    +0.107 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.561  -1.715  -1.314  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.617  -3.212  -1.001  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -4.219  -3.978  -2.175  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.086  -3.287  -3.419  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -2.824  -2.639  -3.547  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -2.763  -1.450  -2.599  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3