REMARK  Name = BDB013951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.060  -0.616  -0.154  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.262  -0.540  -0.907  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.275   0.016  -2.016  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.415  -1.070  -0.331  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -1.498  -1.788   0.926  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.650  -1.609   2.043  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.851  -2.411   3.203  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.858  -3.362   3.290  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.701  -3.534   2.214  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.459  -0.601   2.242  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.521  -2.762   1.062  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.897   0.252   1.078  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.444  -0.299  -0.768  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.110  -0.093  -1.027  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        1.808   0.302  -1.914  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.839  -0.892   0.234  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.395   0.267  -1.844  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.492  -0.730  -2.994  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.781   1.678  -0.434  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.745   0.494  -1.285  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.972  -0.321  -0.706  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.644  -0.904  -1.141  0.00  0.00    +0.173 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.625  -0.010  -0.454  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1       -3.513   1.382  -0.197  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.689   1.691   0.463  0.00  0.00    +0.168 A 
ATOM     26  C   LIG    1       -5.020   2.961   0.927  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -4.080   3.970   0.691  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -2.882   3.701   0.021  0.00  0.00    +0.001 A 
ATOM     29  O   LIG    1       -5.451   0.571   0.576  0.00  0.00    -0.354 OA
ATOM     30  C   LIG    1       -2.581   2.408  -0.433  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -4.795  -0.499  -0.011  0.00  0.00    -0.080 NA
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5