REMARK  Name = BDB018554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.018  -2.101   0.261  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        2.862  -1.201   1.066  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        4.177  -1.489   1.161  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        4.747  -2.597   0.561  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        6.176  -2.815   0.725  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        4.004  -3.495  -0.195  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        4.450  -4.495  -0.749  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.560  -3.183  -0.329  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -2.055  -1.357  -0.550  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -1.130  -0.548  -1.108  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        0.164  -0.824  -0.823  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        0.585  -1.873  -0.008  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.404  -2.695   0.542  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.744  -2.434   0.265  0.00  0.00    +0.068 A 
BRANCH   9  15
ATOM     15  O   LIG    1       -3.397  -1.141  -0.792  0.00  0.00    -0.476 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.650   0.066  -1.515  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.150   0.228  -1.730  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.873  -0.961  -2.386  0.00  0.00    +0.087 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -4.392  -2.245  -3.855  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -5.543  -1.357  -3.759  0.00  0.00    -0.308 NA
ATOM     21  C   LIG    1       -5.454  -0.245  -4.695  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  22
ATOM     22  C   LIG    1        2.320  -0.059   1.739  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        2.766   1.239   1.628  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1        1.984   2.020   2.453  0.00  0.00    -0.238 N 
ATOM     25  N   LIG    1        1.017   1.264   3.046  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1        1.241   0.018   2.630  0.00  0.00    +0.143 A 
BRANCH  24  27
ATOM     27  C   LIG    1        2.043   3.426   2.717  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1        3.140   4.251   2.402  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1        3.068   5.632   2.675  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        1.939   6.194   3.268  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        0.866   5.381   3.607  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        0.918   4.011   3.340  0.00  0.00    +0.029 A 
BRANCH  28  33
ATOM     33  C   LIG    1        4.389   3.785   1.875  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1        5.408   3.427   1.449  0.00  0.00    -0.191 NA
ENDBRANCH  28  33
ENDBRANCH  24  27
ENDBRANCH   2  22
TORSDOF 9