REMARK  Name = BDB015957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.312   0.118  -0.003  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.776  -0.678  -0.015  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.993  -0.103  -0.124  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.137   1.277  -0.261  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.959   2.001  -0.218  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.268   1.456  -0.091  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.091  -0.356   0.291  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.823   0.238   0.170  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.637  -0.525   0.125  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.770  -1.924   0.207  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.021  -2.531   0.331  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.175  -1.750   0.373  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.771   1.252  -0.154  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.360   1.167   0.131  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.724   2.233   0.647  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.462   1.812   0.770  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.283   0.475   0.340  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.544   0.092  -0.072  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.407   1.970  -0.444  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.618   3.186   0.089  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.867   3.512  -0.286  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.424   4.777   0.127  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.469   2.562  -1.051  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.548   1.550  -1.180  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.124  -0.946  -0.114  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -3.801  -0.576   0.553  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.866  -2.372   0.092  0.00  0.00    +0.099 C 
ATOM     28  C   LIG    1       -2.472  -2.743   1.524  0.00  0.00    +0.182 C 
ATOM     29  O   LIG    1       -3.122  -3.985   1.853  0.00  0.00    -0.378 OA
ATOM     30  C   LIG    1       -3.864  -4.411   0.705  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1       -4.148  -3.162  -0.093  0.00  0.00    +0.052 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5