REMARK  Name = BDB003043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.376   1.009  -1.002  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1       -1.737  -0.199  -1.547  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.823  -1.246  -1.593  0.00  0.00    +0.269 A 
ATOM      4  O   LIG    1       -1.124  -2.361  -2.012  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1        0.542  -0.952  -1.109  0.00  0.00    +0.148 A 
ATOM      6  C   LIG    1        0.776   0.283  -0.639  0.00  0.00    +0.238 A 
ATOM      7  O   LIG    1        2.015   0.692  -0.158  0.00  0.00    -0.436 OA
ATOM      8  C   LIG    1        3.060  -0.191  -0.149  0.00  0.00    +0.145 A 
ATOM      9  C   LIG    1        2.940  -1.493  -0.610  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        4.041  -2.351  -0.577  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        5.260  -1.888  -0.077  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.387  -0.576   0.390  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        4.280   0.274   0.352  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1        1.641  -1.941  -1.129  0.00  0.00    +0.207 A 
ATOM     15  O   LIG    1        1.523  -3.085  -1.548  0.00  0.00    -0.286 OA
ATOM     16  N   LIG    1       -0.181   1.256  -0.573  0.00  0.00    -0.199 NA
ENDROOT
BRANCH  12  17
ATOM     17  O   LIG    1        6.633  -0.254   0.852  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        6.818   1.069   1.341  0.00  0.00    +0.277 C 
ENDBRANCH  12  17
BRANCH   1  19
ATOM     19  C   LIG    1       -2.389   2.138  -0.837  0.00  0.00    +0.074 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.120   2.794   1.609  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -3.011   2.140   0.562  0.00  0.00    +0.004 C 
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -3.056  -0.477  -2.120  0.00  0.00    +0.200 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.002  -0.923  -1.064  0.00  0.00    +0.125 A 
ATOM     24  O   LIG    1       -5.053  -0.095  -0.797  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1       -5.791  -0.691   0.176  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -5.230  -1.893   0.536  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -4.076  -2.048  -0.268  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 5