REMARK  Name = BDB015949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.978   2.188   0.228  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.056   1.256  -0.084  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.225   1.642  -0.254  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.593   2.984  -0.168  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.575   3.857   0.172  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.708   3.494   0.377  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.064  -0.054   0.367  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.744   0.395   0.193  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.372   1.737   0.417  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.383   2.625   0.827  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.700   2.195   1.006  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.038   0.862   0.777  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.199  -4.534   0.574  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.355  -3.419   0.219  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.408  -3.582  -0.721  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.822  -2.382  -0.782  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.398  -1.444   0.108  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.393  -2.160   0.743  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.936   3.498  -0.412  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.421   4.540   0.287  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.655   4.738  -0.207  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.472   5.798   0.333  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -4.985   3.877  -1.206  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -3.891   3.063  -1.372  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.181   0.651  -0.556  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.004   0.794   0.027  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.732  -0.745  -0.541  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -2.758  -1.580  -1.317  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -2.358  -3.056  -1.409  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -1.473  -3.520  -0.242  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -1.828  -2.774   1.044  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1       -1.589  -1.266   0.902  0.00  0.00    +0.024 C 
BRANCH  30  33
ATOM     33  N   LIG    1       -1.593  -4.962  -0.047  0.00  0.00    -0.327 NA
ATOM     34  H   LIG    1       -2.559  -5.211   0.159  0.00  0.00    +0.118 HD
ATOM     35  H   LIG    1       -1.351  -5.447  -0.911  0.00  0.00    +0.118 HD
ENDBRANCH  30  33
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6