REMARK  Name = BDB015901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.216   0.071  -0.166  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.932  -0.629  -0.082  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -2.100   0.031  -0.223  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.138   1.412  -0.428  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.903   2.032  -0.499  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.278   1.396  -0.381  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.951  -0.694   0.065  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.733  -0.008  -0.079  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.487  -0.667  -0.014  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.507  -2.058   0.202  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.708  -2.756   0.346  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.923  -2.076   0.276  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.682   0.680   0.710  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.305   0.622   0.285  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.819   1.586  -0.516  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.545   1.227  -0.695  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.209   0.031  -0.018  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.383  -0.331   0.612  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.362   2.182  -0.542  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.565   3.225  -1.423  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.840   3.665  -1.208  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.516   4.742  -1.889  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.487   2.980  -0.249  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.585   2.084   0.161  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.302  -0.703  -0.131  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -3.885  -0.463  -0.932  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.182  -2.154   0.026  0.00  0.00    +0.111 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.881  -2.550   1.463  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -2.983  -4.053   1.736  0.00  0.00    +0.167 C 
ATOM     30  O   LIG    1       -4.243  -3.884   2.427  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -4.061  -2.445   2.434  0.00  0.00    +0.167 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6