REMARK  Name = BDB047495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.366   0.195   1.507  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.108   0.212   0.679  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.392  -0.981   0.816  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.205  -1.197   0.128  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.716  -0.182  -0.697  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.429   1.023  -0.817  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.087  -1.934   1.735  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.628   1.228  -0.128  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.079  -1.004   2.447  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.702   0.073   0.740  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.541   1.395  -0.433  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.086   1.384   0.024  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.727  -1.129  -0.182  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.024  -2.266   0.152  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.352  -0.876  -1.447  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -5.359  -1.752  -1.884  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.434  -0.234  -1.437  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.225  -1.422  -1.331  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.470  -1.262  -2.202  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.496  -0.388  -1.571  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.566   0.987  -1.507  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.725   2.097  -1.985  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.696   1.318  -0.814  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.263   0.112  -0.489  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.581  -0.934  -0.920  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.510   0.152   0.271  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        7.144  -1.049   0.625  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        8.338  -1.043   1.351  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.914   0.166   1.733  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.298   1.368   1.389  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.104   1.361   0.663  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9