REMARK  Name = BDB004856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.712   0.331   0.527  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.022   0.739   0.195  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.907   0.966   1.268  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.214   1.397   0.957  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.629   1.577  -0.377  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.759   1.330  -1.426  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.499   0.767   2.542  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.248   0.336   2.738  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.466   0.912  -1.141  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.341   0.099   1.795  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.252   1.688   1.997  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.389   2.034   1.692  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.910   1.565   3.310  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.984   1.244   3.578  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.610   1.731   4.017  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.221   0.110  -0.500  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.242   0.898  -1.134  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.577  -0.320  -0.125  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.426   0.880   0.297  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.727   1.931  -0.587  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.508   3.011  -0.171  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.995   3.061   1.133  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.700   2.032   2.024  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.920   0.951   1.610  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.251  -1.081  -1.324  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -1.484  -2.190  -1.956  0.00  0.00    -0.304 NA
ATOM     27  C   LIG    1       -2.248  -2.724  -3.087  0.00  0.00    +0.104 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -0.264  -4.347  -1.558  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -1.137  -3.236  -0.980  0.00  0.00    +0.081 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7