REMARK  Name = BDB051160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.016   0.907   0.269  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.095   1.640   1.543  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1       -0.830   1.760   1.952  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        0.428   2.582   1.323  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        1.349   0.889  -0.485  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        1.717   2.212  -0.877  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        2.406   2.127  -1.558  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        2.478   0.170   0.284  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.688   1.005   0.751  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        3.341   1.974   1.880  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        6.019   0.724   1.420  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        6.097   1.706   1.192  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.821   0.076   1.199  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        4.688  -1.137   1.333  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        7.219   0.008   1.798  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.944  -0.555   0.578  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        9.952  -1.844  -0.232  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        9.226  -1.283   0.980  0.00  0.00    -0.002 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.157   1.560  -0.551  0.00  0.00    +0.025 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.502   0.879  -1.897  0.00  0.00    -0.005 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.552   1.694  -2.690  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -2.038   3.040  -3.184  0.00  0.00    +0.004 C 
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -1.937  -0.604  -1.752  0.00  0.00    +0.038 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.220  -0.862  -0.998  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1       -3.212  -1.126   0.374  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.405  -1.362   1.070  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.648  -1.349   0.419  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -5.641  -1.095  -0.965  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.450  -0.859  -1.661  0.00  0.00    +0.004 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.976  -1.603   1.152  0.00  0.00    -0.013 C 
ATOM     31  C   LIG    1       -7.898  -0.375   0.995  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -7.673  -2.842   0.550  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -6.813  -1.861   2.667  0.00  0.00    +0.015 C 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 15