REMARK  Name = BDB048746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340   1.919  -1.758  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        1.647   1.931  -1.205  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.271   2.992  -1.822  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1        1.352   3.530  -2.674  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        1.468   4.325  -3.294  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        0.165   2.901  -2.659  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -4.716  -1.397  -1.104  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.191  -0.304  -1.810  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -2.868   0.054  -1.546  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -2.067  -0.615  -0.629  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1       -0.814  -0.056  -0.565  0.00  0.00    -0.226 NA
ATOM     12  C   LIG    1       -0.834   0.940  -1.428  0.00  0.00    +0.160 A 
ATOM     13  C   LIG    1       -2.600  -1.705   0.072  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -2.057   1.040  -2.040  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1       -2.284   1.736  -2.734  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -3.929  -2.087  -0.176  0.00  0.00    +0.048 A 
BRANCH   7  18
ATOM     17  C   LIG    1       -6.614  -2.790  -0.747  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -6.018  -1.687  -1.419  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        2.214   1.052  -0.233  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        3.402   1.207   0.375  0.00  0.00    +0.010 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.909   0.249   1.365  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1        3.308   0.018   2.613  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1        2.058   0.728   3.052  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.885  -0.934   3.465  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.039  -1.590   3.063  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        5.652  -1.373   1.883  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        5.071  -0.464   1.065  0.00  0.00    +0.118 A 
ENDBRANCH  20  21
ENDBRANCH   2  19
TORSDOF 4