REMARK  Name = BDB021507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.579  -1.490   0.122  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.946  -0.302   0.482  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.557  -0.117   0.311  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        2.179   1.129   0.728  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.820   1.526   0.601  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.111   0.540   1.284  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.565  -0.462   0.333  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.315  -1.157  -0.492  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.099  -1.821  -1.444  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.784  -1.153  -0.227  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.438  -2.348  -0.596  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.813  -2.514  -0.421  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.909  -1.774   0.239  0.00  0.00    -0.487 OA
BRANCH  13  17
ATOM     14  C   LIG    1        9.243   1.482  -0.750  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        8.623   0.213  -0.404  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        7.163   0.310  -0.248  0.00  0.00    +0.128 C 
ATOM     17  C   LIG    1        6.775  -0.776   0.772  0.00  0.00    +0.189 C 
ATOM     18  C   LIG    1        8.109  -1.433   1.130  0.00  0.00    +0.061 C 
ATOM     19  C   LIG    1        9.128  -0.348   0.847  0.00  0.00    +0.088 C 
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   7  20
ATOM     20  C   LIG    1       -1.991  -0.469  -0.026  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.331   0.588  -1.099  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.297   1.902  -0.520  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -3.000   1.899   0.154  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.705   0.317  -1.751  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.835   0.404  -0.801  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.845  -0.625  -1.101  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.065  -0.495  -0.220  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.627   0.783  -0.074  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.793   0.958   0.671  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.390  -0.142   1.288  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.831  -1.413   1.151  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.939   1.911  -0.791  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.673  -1.594   0.392  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.405   1.770  -0.702  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 7