REMARK  Name = BDB015139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.285  -1.512  -0.052  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.946  -1.385   0.364  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.337  -2.377   1.137  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        2.074  -3.487   1.544  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        3.399  -3.632   1.146  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.994  -2.657   0.348  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        8.059   1.412  -0.342  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        7.004   1.645  -1.294  0.00  0.00    -0.333 N 
ATOM      9  C   LIG    1        5.798   0.994  -1.334  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        5.148   1.555  -2.427  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        3.868   1.101  -2.763  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.279   0.095  -1.982  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        3.933  -0.465  -0.869  0.00  0.00    -0.016 A 
ATOM     14  N   LIG    1        5.925   2.516  -3.021  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        5.224  -0.004  -0.539  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        7.034   2.550  -2.316  0.00  0.00    +0.200 A 
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  O   LIG    1        0.041  -2.348   1.575  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.898  -1.632   0.754  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.227  -2.388   0.844  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.029  -3.723   0.343  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.226  -4.053   0.791  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.349  -1.736   0.015  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.684  -0.333   0.332  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.687   0.142  -0.650  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.336   1.468  -0.311  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.284   1.992   0.990  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -5.931   3.196   1.286  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.658   3.863   0.301  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.734   3.338  -0.988  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.485   1.280   2.047  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.075   2.146  -1.292  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.215  -0.193   1.699  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7