REMARK  Name = BDB003926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.086  -3.148  -1.551  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        0.769  -1.936  -1.204  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.343  -0.646  -1.539  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.214   0.267  -0.943  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        1.026   1.627  -1.072  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.075   2.059  -1.823  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.961   1.137  -2.431  0.00  0.00    -0.045 A 
ATOM      8  N   LIG    1        2.194  -0.464  -0.249  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -0.744  -0.243  -2.287  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        1.898  -1.843  -0.368  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        2.501  -2.763   0.160  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        3.229   0.090   0.607  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1        2.767  -0.047   2.072  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        1.583   0.012   2.414  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.729  -0.150   3.055  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.314  -0.329   3.962  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.879   0.585   3.200  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.318   0.806   4.328  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.508   1.214   1.981  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        5.780   0.252   0.834  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        4.586  -0.583   0.366  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   7  22
ATOM     22  C   LIG    1       -2.176   1.634  -3.183  0.00  0.00    +0.046 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.334   1.982  -2.253  0.00  0.00    +0.125 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.859   0.750  -1.557  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1       -4.226  -0.258  -2.146  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.845   0.935  -0.212  0.00  0.00    -0.459 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.214  -0.138   0.692  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -4.053   0.462   2.097  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -5.677  -0.552   0.499  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -3.258  -1.329   0.556  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6