REMARK  Name = BDB016105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.387   2.058  -0.064  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.279   0.891  -0.145  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.626   0.923  -0.189  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.333   2.125  -0.178  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.553   3.264  -0.096  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.207   3.264  -0.031  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.943   0.692   0.162  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.543   0.770   0.086  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.861   2.003   0.007  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.645   3.171   0.002  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.039   3.111   0.069  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.684   1.878   0.148  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.969  -4.054   1.200  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.050  -2.695   0.726  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.167  -2.276   0.105  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.903  -0.997  -0.180  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.617  -0.593   0.251  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.094  -1.728   0.837  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.777   2.215  -0.269  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.565   3.074   0.470  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.854   2.833   0.088  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -7.044   3.483   0.581  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.963   1.875  -0.848  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.699   1.507  -1.073  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.310  -0.315  -0.280  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -3.070  -0.314   0.398  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.660  -1.537  -0.345  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -0.766  -2.226   0.720  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -0.871  -3.212  -0.451  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1       -2.372  -2.915  -0.507  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -0.651  -2.039  -1.414  0.00  0.00    +0.047 C 
BRANCH  29  32
ATOM     32  N   LIG    1       -0.268  -4.480  -0.531  0.00  0.00    -0.324 NA
ATOM     33  H   LIG    1        0.750  -4.447  -0.572  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1       -0.555  -5.021  -1.347  0.00  0.00    +0.119 HD
ENDBRANCH  29  32
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6