REMARK  Name = BDB021627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.780   0.617   2.279  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.361  -0.271   1.652  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.813  -1.546   1.578  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        1.466  -2.660   0.906  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        2.875  -2.828   1.440  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        3.807  -2.105   0.653  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.668  -0.753   0.529  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        4.782  -0.203  -0.144  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        4.911   1.169  -0.409  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        3.878   2.002   0.019  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.766   1.472   0.681  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.632   0.090   0.945  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        6.089   1.705  -1.109  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1        6.516   1.168  -2.329  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        7.631   1.708  -2.951  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        8.347   2.734  -2.449  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        7.928   3.243  -1.273  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        6.824   2.772  -0.578  0.00  0.00    +0.028 A 
ENDBRANCH   9  13
BRANCH   3  19
ATOM     19  C   LIG    1       -0.489  -1.800   2.218  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.701  -1.666   1.270  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.529  -2.565   0.164  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.910  -2.128  -0.447  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -1.927  -0.208   0.789  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.192   0.115   0.101  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.346   0.107   1.015  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.661   0.416   0.328  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.801   0.272  -1.064  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.035   0.536  -1.673  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.133   0.916  -0.901  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.005   1.041   0.480  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.605  -0.101  -1.904  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.776   0.790   1.093  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.471  -0.718  -1.073  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6