REMARK  Name = BDB048154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.203   0.044   1.783  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1       -2.047  -0.626   0.908  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1       -3.079  -1.358   1.379  0.00  0.00    -0.217 NA
ATOM      4  C   LIG    1       -3.262  -1.414   2.715  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -4.430  -2.202   3.220  0.00  0.00    +0.088 C 
ATOM      6  N   LIG    1       -2.502  -0.776   3.622  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1       -1.488  -0.041   3.127  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   1   9
ATOM      8  N   LIG    1        1.028   0.235   0.733  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -0.067   0.861   1.350  0.00  0.00    +0.252 C 
ATOM     10  O   LIG    1       -0.148   2.066   1.568  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.120   1.064   0.173  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        2.878   1.901   1.212  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1        4.017   2.667   0.541  0.00  0.00    +0.082 C 
ATOM     14  N   LIG    1        3.537   3.500  -0.560  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1        4.320   3.994  -0.987  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        2.830   2.723  -1.576  0.00  0.00    +0.082 C 
ATOM     17  C   LIG    1        1.650   1.952  -0.986  0.00  0.00    +0.037 C 
ENDBRANCH   8  11
BRANCH   8  19
ATOM     18  C   LIG    1        2.170  -1.562   2.016  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        1.286  -1.212   0.830  0.00  0.00    +0.105 C 
ENDBRANCH   8  19
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  N   LIG    1       -1.897  -0.486  -0.480  0.00  0.00    -0.321 N 
ATOM     21  H   LIG    1       -0.919  -0.506  -0.758  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.691  -1.397  -1.297  0.00  0.00    +0.177 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.329  -1.322  -2.742  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1       -1.123  -1.858  -3.096  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1       -0.988  -1.676  -4.435  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -2.087  -1.026  -4.947  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -2.954  -0.793  -3.853  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6