REMARK  Name = BDB021474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.877  -0.715   0.337  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.288   0.351   0.135  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.013   1.537   0.097  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.455   2.841  -0.220  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.429   2.773  -1.447  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.769   2.509  -1.075  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.060   1.280  -0.557  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.455   1.054  -0.579  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        4.015  -0.134  -0.116  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        3.171  -1.112   0.385  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.791  -0.896   0.426  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        1.202   0.304  -0.035  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.414   1.501   0.563  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.377   0.946  -0.503  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -3.211   1.692  -1.723  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -2.313   1.471  -2.027  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -4.854   1.055  -0.065  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.188   0.412   1.220  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -6.597   0.657   1.588  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -7.611  -0.199   0.857  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -7.236  -1.421   0.269  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -8.201  -2.210  -0.371  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -9.534  -1.802  -0.408  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -9.912  -0.602   0.190  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.791  -1.853   0.269  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -8.957   0.195   0.822  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.933  -1.039   1.249  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  O   LIG    1        5.342  -0.454  -0.100  0.00  0.00    -0.489 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.259   0.518  -0.614  0.00  0.00    +0.260 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.699  -0.015  -0.517  0.00  0.00    +0.156 C 
ATOM     31  O   LIG    1        8.102  -0.002   0.863  0.00  0.00    -0.373 OA
ATOM     32  C   LIG    1        9.061  -0.991   1.234  0.00  0.00    +0.160 C 
ATOM     33  C   LIG    1       10.043  -1.299   0.115  0.00  0.00    +0.028 C 
ATOM     34  C   LIG    1        9.315  -1.848  -1.110  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1        7.856  -1.395  -1.159  0.00  0.00    +0.035 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 8