REMARK  Name = BDB038349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.154   1.259  -1.750  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        0.823   0.469  -0.891  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        0.140  -0.540  -0.280  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -1.200  -0.801  -0.541  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.872   0.003  -1.457  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -1.182   1.051  -2.066  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.276  -0.248  -1.779  0.00  0.00    +0.079 A 
ATOM      8  N   LIG    1       -3.714  -0.653  -3.022  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.911  -0.929  -4.193  0.00  0.00    +0.173 C 
ATOM     10  N   LIG    1       -5.051  -0.803  -3.103  0.00  0.00    -0.179 NA
ATOM     11  C   LIG    1       -5.475  -0.514  -1.873  0.00  0.00    +0.146 A 
ATOM     12  C   LIG    1       -4.425  -0.169  -1.005  0.00  0.00    +0.064 A 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.487   0.234   0.503  0.00  0.00    +0.167 A 
ATOM     14  N   LIG    1       -5.589   0.346   1.314  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1       -6.972   0.149   0.980  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1       -5.125   0.692   2.547  0.00  0.00    +0.225 A 
ATOM     17  N   LIG    1       -3.820   0.805   2.510  0.00  0.00    -0.138 NA
ATOM     18  N   LIG    1       -3.422   0.524   1.227  0.00  0.00    -0.129 NA
ENDBRANCH  12  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     19  N   LIG    1        0.904   2.283  -2.336  0.00  0.00    -0.329 N 
ATOM     20  H   LIG    1        1.828   2.169  -1.917  0.00  0.00    +0.147 HD
BRANCH  19  22
ATOM     21  C   LIG    1        1.345   4.659  -2.607  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        0.372   3.618  -2.076  0.00  0.00    +0.099 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH   3  23
ATOM     23  C   LIG    1        0.876  -1.383   0.737  0.00  0.00    +0.163 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.282  -1.067   0.786  0.00  0.00    -0.276 N 
ATOM     25  H   LIG    1        2.598  -0.247   0.286  0.00  0.00    +0.152 HD
ATOM     26  C   LIG    1        3.141  -1.688   1.629  0.00  0.00    +0.401 C 
ATOM     27  O   LIG    1        2.848  -2.627   2.352  0.00  0.00    -0.226 OA
BRANCH  26  28
ATOM     28  O   LIG    1        4.352  -1.094   1.540  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.463  -1.551   2.352  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1        5.170  -1.381   3.848  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.631  -0.627   1.973  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        5.850  -2.994   2.007  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8