REMARK  Name = BDB000175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.571   1.549   1.399  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.675   2.118   1.268  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.287   2.738   0.083  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.299   3.712   0.691  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.779   2.980   1.940  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.528   2.272   2.439  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.882   0.959   2.442  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.031   1.745  -0.843  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.230   0.489  -0.317  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        1.653   0.212   0.468  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        2.499   2.105  -1.921  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.940  -0.556  -1.040  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.473  -1.609  -0.075  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        3.398  -2.984  -0.372  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        3.903  -3.922   0.544  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.514  -3.506   1.725  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.630  -2.149   2.005  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.749  -3.489  -1.638  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        2.647  -2.415  -2.716  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        4.120  -1.208   1.109  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        2.037  -1.152  -2.128  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -1.601   1.671   0.247  0.00  0.00    +0.164 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -1.925  -0.607  -0.684  0.00  0.00    +0.231 C 
ATOM     24  N   LIG    1       -2.278   0.367   0.231  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -2.594   0.045   1.140  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -1.221  -0.359  -1.659  0.00  0.00    -0.274 OA
BRANCH  23  28
ATOM     27  C   LIG    1       -1.346  -3.005  -0.481  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -2.509  -2.009  -0.373  0.00  0.00    +0.139 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.633  -2.334  -1.295  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1       -4.197  -3.659  -1.022  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1       -4.702  -1.332  -1.228  0.00  0.00    +0.105 C 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -2.621   2.840   0.450  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1       -3.617   2.852  -0.731  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -1.910   4.206   0.468  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -3.429   2.705   1.757  0.00  0.00    +0.013 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7