REMARK  Name = BDB047515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.130  -0.476   0.319  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.689  -0.459   0.761  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -3.097  -1.711   0.541  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.783  -1.978   0.907  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.036  -0.960   1.496  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.632   0.291   1.728  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.070  -2.668  -0.074  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.960   0.547   1.369  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.106  -1.692  -0.643  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.776   0.771  -0.322  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.185   2.843   0.162  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.245   1.790   0.739  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -4.871   1.450  -1.343  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -4.047   2.313  -1.082  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.082   1.034  -2.614  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -5.782   0.363  -2.715  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.270  -1.037   1.891  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.025  -2.212   1.581  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.515  -2.223   0.133  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.578  -1.214  -0.117  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.468   0.115  -0.466  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        1.347   1.039  -0.714  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.730   0.625  -0.579  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.553  -0.434  -0.292  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.910  -1.553  -0.013  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.992  -0.183  -0.336  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.518   1.081  -0.653  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        7.903   1.305  -0.682  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        8.444   2.653  -1.056  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        8.771   0.241  -0.415  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        8.265  -1.019  -0.099  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.885  -1.227  -0.058  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9