REMARK  Name = BDB036979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.658  -2.207   0.029  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -2.854  -1.506  -0.075  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -3.323  -0.327   0.653  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -4.571  -0.028   0.175  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.921  -0.863  -0.847  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -5.910  -0.836  -1.553  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.677   0.249   1.511  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -3.835  -1.828  -0.998  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.701  -2.882  -1.876  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.526  -3.629  -1.787  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.526  -3.299  -0.843  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -5.305   1.166   0.574  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -5.145   2.229  -0.517  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.101   2.404  -1.143  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.239   3.019  -0.751  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.089   3.761  -1.424  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.524   2.548  -0.768  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.402   3.146  -1.385  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.776   1.225  -0.090  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -6.756   0.925   0.995  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -0.707  -1.881   0.994  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -0.968  -1.034   1.514  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.720  -1.916   0.676  0.00  0.00    +0.106 C 
BRANCH  23  27
ATOM     24  C   LIG    1        4.622   1.112  -0.020  0.00  0.00    +0.403 C 
ATOM     25  N   LIG    1        3.310   0.745  -0.265  0.00  0.00    -0.267 N 
ATOM     26  C   LIG    1        2.764  -0.542   0.158  0.00  0.00    +0.116 C 
ATOM     27  C   LIG    1        1.230  -0.548   0.189  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        0.656  -0.152  -1.185  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1        1.512   0.876  -1.931  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        2.437   1.650  -1.003  0.00  0.00    +0.111 C 
ATOM     31  O   LIG    1        5.098   2.193  -0.340  0.00  0.00    -0.226 OA
BRANCH  24  32
ATOM     32  O   LIG    1        5.313   0.124   0.607  0.00  0.00    -0.445 OA
BRANCH  32  34
ATOM     33  C   LIG    1        7.583   0.483  -0.285  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        6.710   0.296   0.960  0.00  0.00    +0.107 C 
ATOM     35  C   LIG    1        6.894   1.435   1.969  0.00  0.00    +0.055 C 
ATOM     36  C   LIG    1        7.102  -1.026   1.638  0.00  0.00    +0.055 C 
ENDBRANCH  32  34
ENDBRANCH  24  32
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6