REMARK  Name = BDB002228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.605  -0.281  -0.006  0.00  0.00    +0.077 C 
ATOM      2  C   LIG    1       -1.789  -0.184  -1.303  0.00  0.00    +0.028 C 
ATOM      3  C   LIG    1       -0.349   0.239  -1.017  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1        0.336  -0.799  -0.236  0.00  0.00    -0.299 NA
ATOM      5  C   LIG    1       -0.467  -1.352   0.863  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -1.712  -0.540   1.215  0.00  0.00    +0.028 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.728  -0.492   0.145  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1        2.685  -0.516  -1.068  0.00  0.00    +0.034 C 
ATOM      9  C   LIG    1        3.816   0.508  -0.939  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        4.395   0.601   0.403  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        3.381   0.908   1.427  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        1.921   0.793   0.963  0.00  0.00    +0.034 C 
BRANCH  10  13
ATOM     13  C   LIG    1        5.211  -0.564   0.788  0.00  0.00    +0.158 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.388  -0.794  -0.103  0.00  0.00    +0.119 A 
ATOM     15  O   LIG    1        7.421   0.092  -0.004  0.00  0.00    -0.461 OA
ATOM     16  C   LIG    1        8.376  -0.301  -0.896  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        7.967  -1.441  -1.554  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        6.686  -1.760  -1.042  0.00  0.00    +0.046 A 
BRANCH  16  19
ATOM     19  C   LIG    1        9.592   0.539  -0.961  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1       10.139   0.617   0.351  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        9.378   0.802   0.935  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  O   LIG    1       -3.220   2.048  -0.342  0.00  0.00    -0.276 OA
ATOM     23  C   LIG    1       -3.422   0.986   0.240  0.00  0.00    +0.216 C 
ATOM     24  N   LIG    1       -4.400   0.829   1.204  0.00  0.00    -0.315 N 
ATOM     25  H   LIG    1       -4.667  -0.115   1.460  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.365   1.879   1.482  0.00  0.00    +0.109 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.447   2.004   0.403  0.00  0.00    +0.054 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -7.254   0.736   0.233  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -6.981  -0.137  -0.831  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.706  -1.320  -0.980  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.711  -1.642  -0.069  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.990  -0.781   0.993  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.265   0.403   1.145  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  23
TORSDOF 9