REMARK  Name = BDB013947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.035   0.728  -1.648  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.244   1.511  -1.280  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.577   2.486  -1.962  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.010   1.073  -0.191  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.948  -0.251   0.358  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.671  -1.372  -0.452  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.560  -2.646   0.132  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.746  -2.820   1.501  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.054  -1.725   2.299  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.565  -1.254  -1.950  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.158  -0.453   1.732  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.718  -0.568  -2.398  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.236   0.267  -0.585  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        1.885   0.502  -0.474  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        1.435   0.351   0.418  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.814   0.241  -1.671  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.960  -0.056   0.750  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.684   0.997   1.820  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.063  -1.177   1.240  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.418  -0.103   0.501  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.555  -0.256  -0.506  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.067   1.979   0.287  0.00  0.00    +0.151 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.454   1.517  -0.083  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -4.362   1.125   0.907  0.00  0.00    +0.128 A 
ATOM     25  F   LIG    1       -4.004   1.171   2.199  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -5.644   0.685   0.586  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -6.040   0.633  -0.750  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -5.147   1.026  -1.742  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -5.527   0.978  -3.025  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -3.866   1.468  -1.423  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5