REMARK  Name = BDB018285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.609   5.074   0.565  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.166   3.734   0.467  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -2.522   3.552   0.672  0.00  0.00    +0.253 A 
ATOM      4  O   LIG    1       -3.329   4.444   0.916  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.006   2.156   0.555  0.00  0.00    +0.097 A 
ATOM      6  C   LIG    1       -2.185   1.111   0.306  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1       -0.724   1.384   0.267  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.304   2.665   0.316  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -2.740  -0.177   0.054  0.00  0.00    -0.321 N 
ATOM     10  C   LIG    1       -2.208  -1.203  -0.707  0.00  0.00    +0.106 A 
ATOM     11  C   LIG    1       -3.042  -2.309  -0.721  0.00  0.00    +0.077 A 
ATOM     12  C   LIG    1       -4.175  -1.936   0.044  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -3.979  -0.644   0.480  0.00  0.00    +0.092 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.736  -3.543  -1.440  0.00  0.00    +0.338 C 
ATOM     15  O   LIG    1       -1.809  -3.652  -2.231  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.562  -4.585  -1.169  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1       -4.202  -4.383  -0.467  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  18
ATOM     18  C   LIG    1        0.263   0.347   0.321  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.265   0.113  -0.595  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        1.950  -0.977  -0.129  0.00  0.00    -0.271 N 
ATOM     21  N   LIG    1        1.480  -1.440   1.048  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1        0.450  -0.634   1.318  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.066  -1.645  -0.786  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.374  -0.969  -0.492  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        5.149  -1.302   0.758  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.664  -1.745  -0.584  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   7  18
TORSDOF 6