REMARK  Name = BDB015022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.301   1.574  -2.941  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.081   0.967  -4.224  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -1.539   0.101  -4.165  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -2.687   1.131  -2.409  0.00  0.00    +0.119 C 
BRANCH   4   9
ATOM      5  C   LIG    1       -5.786  -0.402   0.689  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -4.881  -0.532  -0.383  0.00  0.00    -0.000 A 
ATOM      7  C   LIG    1       -5.321  -0.239  -1.799  0.00  0.00    +0.054 C 
ATOM      8  C   LIG    1       -4.291  -0.668  -2.854  0.00  0.00    +0.089 C 
ATOM      9  N   LIG    1       -2.891  -0.336  -2.519  0.00  0.00    -0.295 NA
ATOM     10  C   LIG    1       -2.549  -1.046  -1.267  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1       -3.536  -0.872  -0.133  0.00  0.00    -0.027 A 
ATOM     12  C   LIG    1       -3.118  -1.110   1.183  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.017  -0.990   2.239  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.346  -0.637   1.994  0.00  0.00    +0.046 A 
BRANCH   5  16
ATOM     15  C   LIG    1       -8.003   0.114   1.403  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -7.063  -0.039   0.347  0.00  0.00    -0.495 OA
ENDBRANCH   5  16
ENDBRANCH   4   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.116   1.258  -2.026  0.00  0.00    +0.261 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.379   1.758  -0.715  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.410   1.277   0.293  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        1.670   0.697   0.130  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        2.389   0.233   1.244  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        1.836   0.378   2.524  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        0.585   0.970   2.689  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -0.122   1.420   1.575  0.00  0.00    +0.045 A 
BRANCH  21  25
ATOM     25  C   LIG    1        3.759  -0.387   1.073  0.00  0.00    +0.116 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.796   0.532   1.532  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        4.626   1.451   1.124  0.00  0.00    +0.123 HD
BRANCH  26  28
ATOM     28  C   LIG    1        6.169   0.128   1.260  0.00  0.00    +0.054 C 
ATOM     29  C   LIG    1        6.564  -1.312   1.588  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        7.944  -1.439   0.950  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        7.921  -0.519  -0.273  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        6.615   0.273  -0.196  0.00  0.00    +0.019 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10