REMARK  Name = BDB061298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.658  -1.097  -0.081  0.00  0.00    -0.026 C 
ATOM      2  C   LIG    1        1.889  -1.239   0.435  0.00  0.00    +0.005 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        3.075  -1.576  -0.380  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1        4.258  -0.773  -0.326  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        4.248   0.299   0.576  0.00  0.00    -0.339 N 
ATOM      6  H   LIG    1        3.371   0.815   0.547  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1        5.426   1.076   0.907  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1        5.986   1.723  -0.339  0.00  0.00    +0.118 C 
ATOM      9  C   LIG    1        6.957   0.777  -0.971  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1        6.592  -0.500  -1.256  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        7.326  -0.981  -1.763  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        8.089   1.154  -1.287  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.025   2.136   1.935  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        5.371  -1.188  -1.094  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        5.299  -2.387  -1.834  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        4.142  -3.159  -1.866  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.030  -2.750  -1.147  0.00  0.00    +0.010 A 
ENDBRANCH   2   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.554  -0.754   0.740  0.00  0.00    +0.029 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.147   0.589   0.313  0.00  0.00    +0.023 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.264   1.087   1.238  0.00  0.00    +0.105 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -5.144   1.063  -2.033  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.249   1.098  -0.955  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.369   0.234   0.152  0.00  0.00    +0.036 A 
ATOM     24  N   LIG    1       -3.470   0.253   1.220  0.00  0.00    -0.330 N 
ATOM     25  C   LIG    1       -3.595  -0.765   2.268  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1       -5.051  -1.060   2.576  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -5.722  -1.577   1.316  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -5.476  -0.644   0.157  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -6.368  -0.691  -0.927  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -6.199   0.158  -2.014  0.00  0.00    +0.046 A 
BRANCH  21  32
ATOM     31  C   LIG    1       -4.031   2.795  -3.228  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -5.094   1.854  -3.149  0.00  0.00    -0.495 OA
ENDBRANCH  21  32
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6