REMARK  Name = BDB021185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.649   0.058  -0.008  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.011  -1.213   0.005  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.355  -1.224  -0.201  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.754  -2.540  -0.206  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.393  -3.263   0.030  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.101  -0.050  -0.400  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.500   1.109  -0.438  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.481  -2.434   0.168  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.864   1.132  -0.240  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.754  -0.728  -2.031  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.075  -0.065  -0.724  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        3.090   0.275   0.193  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        3.558   0.876   1.346  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1        4.855   1.145   1.596  0.00  0.00    -0.239 NA
ATOM     15  C   LIG    1        5.747   0.783   0.653  0.00  0.00    +0.132 A 
ATOM     16  N   LIG    1        5.390   0.189  -0.504  0.00  0.00    -0.236 NA
BRANCH  15  17
ATOM     17  C   LIG    1        7.207   1.079   0.890  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        7.885   0.614   2.162  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        8.227  -0.038   0.854  0.00  0.00    +0.012 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1        0.513  -4.687   0.114  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.575  -5.846   0.175  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.463  -0.107  -0.583  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.753   0.790  -0.966  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.314  -0.407   0.566  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.755  -0.233   0.186  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.381   1.011   0.169  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.842   2.364   0.458  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.156   3.144   0.531  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.167   2.430  -0.216  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.705   1.139  -0.236  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.462   0.057  -0.642  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.858  -1.200  -0.625  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.523  -1.334  -0.218  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.973  -2.558  -0.224  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6