REMARK  Name = BDB041063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.335   2.588  -2.253  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.157   1.413  -1.519  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -2.167   0.893  -0.787  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -3.360   1.522  -0.813  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -3.627   2.637  -1.513  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -2.601   3.134  -2.228  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.443   0.975   0.022  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.851  -0.386   0.001  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.860  -0.808   0.895  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.487   0.085   1.763  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.118   1.422   1.762  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.109   1.857   0.903  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.238  -1.404  -0.959  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -5.298  -2.186  -1.748  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -3.307  -2.362  -0.214  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1        0.833   3.453  -2.350  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.406   3.230  -3.023  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.083   0.709  -1.564  0.00  0.00    -0.315 N 
ATOM     19  C   LIG    1        0.155  -0.010  -2.846  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  C   LIG    1        0.263  -0.151  -0.374  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.743  -0.515  -0.155  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        1.865  -1.535   0.990  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        3.326  -1.873   1.289  0.00  0.00    +0.107 C 
ATOM     24  N   LIG    1        4.069  -0.639   1.578  0.00  0.00    -0.315 N 
ATOM     25  C   LIG    1        4.040   0.336   0.476  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1        2.592   0.724   0.172  0.00  0.00    +0.024 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.388  -0.914   2.012  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1        6.445  -0.523   1.264  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.689  -0.804   1.713  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        7.953  -1.464   2.899  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.873  -1.848   3.677  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.582  -1.569   3.231  0.00  0.00    +0.043 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7