REMARK  Name = BDB019688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.445  -0.022   0.285  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.564  -0.123   1.123  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -2.775   0.516   0.801  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.831   1.286  -0.372  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.747   1.335  -1.265  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -1.824   2.080  -2.568  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -0.549   0.691  -0.915  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        1.976  -0.283   0.123  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        2.029   0.570  -0.421  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        0.809  -0.716   0.700  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1        0.778  -1.606   1.543  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1        3.256  -0.832   0.513  0.00  0.00    +0.160 C 
BRANCH  12  15
ATOM     13  C   LIG    1        6.713  -0.111  -0.852  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        5.677  -0.727  -0.157  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1        4.395  -0.188  -0.251  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        4.115   0.926  -0.985  0.00  0.00    -0.258 NA
ATOM     17  C   LIG    1        5.142   1.499  -1.646  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1        6.439   1.022  -1.610  0.00  0.00    +0.065 A 
BRANCH  13  20
ATOM     19  C   LIG    1        8.350  -1.677  -0.125  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        8.021  -0.511  -0.871  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  15
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  O   LIG    1       -3.999   1.933  -0.692  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -3.959   3.287  -0.232  0.00  0.00    +0.277 C 
ENDBRANCH   4  21
BRANCH   3  23
ATOM     23  C   LIG    1       -3.968   0.359   1.712  0.00  0.00    +0.161 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.480  -1.005   1.723  0.00  0.00    -0.330 N 
ATOM     25  C   LIG    1       -5.313  -1.592   0.796  0.00  0.00    +0.107 A 
ATOM     26  C   LIG    1       -5.780  -0.929  -0.447  0.00  0.00    +0.086 C 
ATOM     27  N   LIG    1       -5.625  -2.818   1.168  0.00  0.00    -0.241 NA
ATOM     28  C   LIG    1       -4.979  -3.030   2.355  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1       -4.271  -1.915   2.727  0.00  0.00    +0.107 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7