REMARK  Name = BDB012812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315   0.887  -1.684  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -1.149   0.719  -1.245  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.631   2.060  -0.927  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.709   2.405  -0.130  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.824   3.555   0.299  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.607   3.049  -1.209  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.362   2.346  -2.147  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        1.442   0.970   3.079  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        1.871   0.669   1.675  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        0.965   0.880   0.692  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        1.323   0.615  -0.585  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        2.593   0.148  -0.913  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.527  -0.073   0.103  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.151   0.196   1.420  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.874  -0.566  -0.210  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        5.194  -1.942  -0.203  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        4.164  -2.987   0.133  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        6.504  -2.347  -0.509  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        7.488  -1.410  -0.823  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.177  -0.055  -0.834  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.881   0.363  -0.530  0.00  0.00    +0.009 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1       -3.708   1.416   0.201  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -4.589   1.648   1.226  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1       -4.625   2.475   1.812  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -5.468   0.656   1.441  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1       -5.175  -0.242   0.494  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -4.093   0.193  -0.311  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -5.955  -1.519   0.365  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1       -5.819  -2.396   1.612  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -7.429  -1.258   0.048  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4