REMARK  Name = BDB022948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.557   0.196  -0.968  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.314   0.577  -0.472  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.050   1.631   0.526  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1        0.525   2.896  -0.129  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        0.878   1.085   1.627  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        2.075   0.387   1.060  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        2.076  -0.149  -0.215  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        3.151  -0.793  -0.726  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        4.227  -0.933   0.059  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        4.305  -0.457   1.307  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.226   0.186   1.786  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        0.869  -0.011  -1.120  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -1.642  -0.538  -1.956  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.991  -0.309  -0.459  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.824   0.696  -0.263  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.194   2.102  -0.750  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -3.820   2.094  -2.144  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -5.030   1.270  -2.157  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -5.686   1.340  -3.463  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.715  -0.130  -1.818  0.00  0.00    +0.093 C 
BRANCH  14  24
ATOM     21  C   LIG    1       -5.126  -2.180   4.086  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.446  -1.235   2.966  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -4.646  -1.201   1.816  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.913  -0.306   0.762  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -5.994   0.573   0.898  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.787   0.557   2.046  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.513  -0.339   3.078  0.00  0.00    +0.003 A 
ENDBRANCH  14  24
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        5.290  -1.617  -0.514  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        5.085  -1.612  -1.508  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.625  -1.155  -0.141  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        7.074  -1.798   1.181  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        8.571  -2.078   1.206  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        9.268  -1.056   0.503  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        9.022  -1.093  -0.902  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        7.603  -1.526  -1.258  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4