REMARK  Name = BDB012883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.631   2.870  -0.055  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        0.634   2.059   0.270  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.388   2.032  -0.982  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        2.334   1.113  -1.395  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.682   1.076  -2.577  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.841   2.986  -1.932  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.135   3.835  -1.128  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.906   0.183  -0.452  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        3.646  -0.881  -0.902  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        3.859  -1.099  -1.870  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        4.105  -1.691   0.064  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        3.699  -1.103   1.194  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        2.959   0.075   0.924  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        4.032  -1.685   2.539  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        3.411  -3.070   2.728  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        5.542  -1.734   2.779  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -2.413   1.215   0.308  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1       -1.700   2.019  -0.563  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -1.605   1.652  -1.505  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -2.342   1.325   1.528  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -2.712  -0.678  -1.334  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -3.243   0.153  -0.324  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -4.557  -0.053   0.125  0.00  0.00    +0.136 A 
ATOM     24  C   LIG    1       -5.353  -1.046  -0.449  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.831  -1.861  -1.450  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.518  -1.679  -1.891  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -0.761  -1.450  -2.481  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -1.420  -0.434  -1.732  0.00  0.00    -0.494 OA
ENDBRANCH  21  28
BRANCH  23  29
ATOM     29  O   LIG    1       -5.130   0.781   1.049  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1       -5.179   0.151   2.330  0.00  0.00    +0.277 C 
ENDBRANCH  23  29
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 6