REMARK  Name = BDB048482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245  -2.864   0.843  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -1.392  -3.648   1.040  0.00  0.00    +0.094 A 
ATOM      3  C   LIG    1       -2.655  -3.043   0.960  0.00  0.00    -0.027 A 
ATOM      4  C   LIG    1       -3.927  -3.819   1.169  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -2.720  -1.678   0.666  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.555  -0.956   0.457  0.00  0.00    +0.126 A 
ATOM      7  N   LIG    1       -0.338  -1.545   0.548  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        1.031  -3.457   0.877  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        1.122  -4.044   1.705  0.00  0.00    +0.148 HD
BRANCH   8  10
ATOM     10  C   LIG    1        2.186  -2.564   0.744  0.00  0.00    +0.144 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.433  -2.125  -0.705  0.00  0.00    +0.247 C 
BRANCH  11  12
ATOM     12  O   LIG    1        3.700  -1.468  -0.837  0.00  0.00    -0.489 OA
BRANCH  12  17
ATOM     13  C   LIG    1        4.505   4.032  -0.036  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        4.228   2.572  -0.233  0.00  0.00    +0.038 A 
ATOM     15  N   LIG    1        5.229   1.810  -0.727  0.00  0.00    -0.257 NA
ATOM     16  C   LIG    1        4.972   0.490  -0.899  0.00  0.00    +0.156 A 
ATOM     17  C   LIG    1        3.761  -0.126  -0.607  0.00  0.00    +0.139 A 
ATOM     18  C   LIG    1        2.750   0.680  -0.098  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        2.982   2.044   0.093  0.00  0.00    +0.026 A 
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1       -1.273  -5.048   1.325  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1       -1.187  -6.177   1.586  0.00  0.00    -0.191 NA
ENDBRANCH   2  20
BRANCH   6  22
ATOM     22  N   LIG    1       -1.525   0.401   0.136  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1       -0.558   0.668   0.010  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.491   1.325  -0.037  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1       -3.811   1.176   0.098  0.00  0.00    -0.158 NA
ATOM     26  N   LIG    1       -4.322   2.383  -0.183  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1       -5.330   2.498  -0.142  0.00  0.00    +0.189 HD
ATOM     28  C   LIG    1       -3.379   3.319  -0.495  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1       -3.725   4.714  -0.838  0.00  0.00    +0.065 C 
ATOM     30  C   LIG    1       -2.175   2.657  -0.408  0.00  0.00    +0.068 A 
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 8