REMARK  Name = BDB027508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.520  -1.050   0.656  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.479  -1.812   0.113  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.590  -2.474   1.077  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.788  -2.851   0.482  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1        0.590  -3.617  -0.838  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -0.314  -2.856  -1.807  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.649  -2.508  -1.161  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -2.798  -1.031   1.853  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.862   1.469  -1.915  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -5.468   0.705  -0.906  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -4.702  -0.118  -0.076  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.320  -0.194  -0.255  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -2.703   0.588  -1.236  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.475   1.407  -2.068  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.348   3.070  -3.774  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1       -5.710   2.270  -2.709  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -6.690   2.240  -2.465  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -4.227   3.220  -4.243  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -6.378   4.593  -5.411  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -6.524   3.784  -4.354  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1        1.603  -1.663   0.220  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        2.215  -1.697  -0.586  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.391  -1.211   1.266  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        3.525  -0.599   0.901  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1        4.327  -0.122   1.865  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1        4.021  -0.256   3.219  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        4.877   0.256   4.213  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        6.055   0.908   3.849  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        6.375   1.049   2.502  0.00  0.00    +0.122 A 
ATOM     30  C   LIG    1        2.837  -0.919   3.487  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        5.507   0.532   1.531  0.00  0.00    +0.074 A 
ATOM     32  N   LIG    1        2.021  -1.409   2.536  0.00  0.00    -0.222 NA
BRANCH  29  33
ATOM     33  O   LIG    1        7.491   1.661   2.001  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1        8.393   2.230   2.941  0.00  0.00    +0.277 C 
ENDBRANCH  29  33
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 6