REMARK  Name = BDB058179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.635  -0.451  -0.720  0.00  0.00    +0.167 A 
ATOM      2  N   LIG    1       -0.400  -1.309  -0.539  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.539  -0.828  -0.014  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.630   0.499   0.302  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.754   1.315   0.859  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -1.944   2.541   1.305  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -0.836   2.641   0.340  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1        0.156   3.652   0.640  0.00  0.00    +0.135 C 
ATOM      9  C   LIG    1       -0.600   4.995   0.792  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -1.707   4.919   1.724  0.00  0.00    -0.376 OA
ATOM     11  C   LIG    1       -2.655   3.892   1.337  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1       -0.537   1.309   0.043  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        0.609   0.869  -0.463  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   3  14
ATOM     14  N   LIG    1       -2.640  -1.680   0.233  0.00  0.00    -0.308 N 
ATOM     15  C   LIG    1       -2.782  -2.766  -0.786  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1       -3.104  -2.189  -2.168  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -3.941  -3.704  -0.362  0.00  0.00    +0.182 C 
ATOM     18  O   LIG    1       -3.735  -4.256   0.948  0.00  0.00    -0.376 OA
ATOM     19  C   LIG    1       -3.629  -3.202   1.915  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1       -2.458  -2.266   1.588  0.00  0.00    +0.135 C 
ENDBRANCH   3  14
BRANCH   1  22
ATOM     21  C   LIG    1        3.152  -0.660  -0.978  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        1.846  -1.002  -1.321  0.00  0.00    +0.064 A 
ATOM     23  C   LIG    1        1.760  -1.950  -2.328  0.00  0.00    +0.128 A 
ATOM     24  N   LIG    1        2.812  -2.506  -2.969  0.00  0.00    -0.222 NA
ATOM     25  C   LIG    1        4.016  -2.116  -2.561  0.00  0.00    +0.213 A 
ATOM     26  N   LIG    1        4.234  -1.204  -1.615  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  N   LIG    1        5.113  -2.650  -3.199  0.00  0.00    -0.327 N 
ATOM     28  H   LIG    1        5.902  -2.027  -3.107  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        4.858  -2.962  -4.124  0.00  0.00    +0.145 HD
ENDBRANCH  25  27
BRANCH  21  30
ATOM     30  C   LIG    1        3.437   0.312   0.175  0.00  0.00    +0.301 C 
BRANCH  30  32
ATOM     31  C   LIG    1        5.340   1.568  -0.487  0.00  0.00    +0.197 C 
ATOM     32  O   LIG    1        4.839   0.553   0.369  0.00  0.00    -0.349 OA
ENDBRANCH  30  32
BRANCH  30  33
ATOM     33  O   LIG    1        2.897  -0.270   1.372  0.00  0.00    -0.349 OA
ATOM     34  C   LIG    1        2.896   0.649   2.453  0.00  0.00    +0.197 C 
ENDBRANCH  30  33
ENDBRANCH  21  30
ENDBRANCH   1  22
TORSDOF 6