REMARK  Name = BDB016776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.291   1.656  -0.097  0.00  0.00    +0.101 C 
ATOM      2  C   LIG    1        0.535   0.489  -0.768  0.00  0.00    +0.108 C 
ATOM      3  N   LIG    1       -0.144   1.451  -1.671  0.00  0.00    -0.294 NA
ATOM      4  C   LIG    1        0.869   2.476  -1.334  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1   7
ATOM      5  O   LIG    1        2.575  -0.008   1.822  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.265   0.613   1.019  0.00  0.00    +0.266 C 
ATOM      7  N   LIG    1        2.742   1.459   0.064  0.00  0.00    -0.305 N 
ATOM      8  H   LIG    1        3.410   1.884  -0.573  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1        4.715   0.520   0.984  0.00  0.00    +0.167 A 
ATOM     10  N   LIG    1        5.498   1.218   0.089  0.00  0.00    -0.125 NA
ATOM     11  N   LIG    1        6.768   0.912   0.328  0.00  0.00    -0.065 NA
ATOM     12  N   LIG    1        6.780   0.031   1.338  0.00  0.00    -0.248 N 
ATOM     13  C   LIG    1        5.531  -0.240   1.796  0.00  0.00    +0.143 A 
BRANCH  12  14
ATOM     14  C   LIG    1        8.020  -0.526   1.907  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        8.272  -2.013   2.002  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1        9.072  -1.183   1.043  0.00  0.00    +0.029 C 
ENDBRANCH  12  14
ENDBRANCH   6   9
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1       -1.461   1.838  -1.144  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.459   0.787  -1.490  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.143  -0.061  -0.642  0.00  0.00    +0.113 A 
ATOM     20  N   LIG    1       -3.963  -0.822  -1.429  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1       -3.854  -0.532  -2.742  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1       -2.940   0.441  -2.774  0.00  0.00    +0.139 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.850  -1.890  -0.987  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.060  -1.353  -0.263  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -7.024  -0.599  -0.950  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -8.145  -0.105  -0.283  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.318  -0.361   1.076  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.369  -1.111   1.769  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.246  -1.606   1.105  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7