REMARK  Name = BDB028100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.997   0.902   2.244  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.124   0.008   1.606  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.024   0.524   1.035  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.102  -0.174   0.325  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -2.982   0.799  -0.127  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.644   2.118   0.390  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -2.185  -1.380   0.198  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.337   1.881   1.067  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -0.487   2.779   1.686  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.686   2.284   2.271  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.301   0.518  -0.684  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.293   0.103   0.414  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.246   0.529   1.568  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.341  -0.691   0.011  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.012  -0.932   0.728  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.663  -1.076  -1.266  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.724  -1.644  -1.507  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.697  -0.680  -2.358  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.287  -0.511  -1.814  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        2.276   0.398   2.865  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        4.571  -0.679   0.278  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        5.252   0.021   0.531  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        3.611  -0.860   1.245  0.00  0.00    +0.300 C 
ATOM     24  N   LIG    1        3.336   0.322   1.884  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        3.483   1.145   1.321  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        3.081  -1.931   1.503  0.00  0.00    -0.253 OA
BRANCH  21  27
ATOM     27  C   LIG    1        5.068  -1.830  -0.450  0.00  0.00    +0.105 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.220  -0.791  -1.313  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        5.889  -1.435  -1.673  0.00  0.00    +0.015 C 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5