REMARK  Name = BDB042652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.157   0.725   1.339  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -3.591   0.869  -1.270  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1       -2.500  -0.073  -1.599  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -1.535  -0.302  -0.408  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -0.993   0.964   0.152  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1       -2.126   1.856   0.501  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1       -3.065   2.127  -0.699  0.00  0.00    +0.122 C 
BRANCH   2  11
ATOM      8  C   LIG    1       -6.862  -0.809   0.721  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -5.677  -1.490   0.509  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -4.603  -0.962  -0.130  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1       -4.676   0.308  -0.586  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -5.852   1.047  -0.422  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -6.949   0.491   0.239  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  N   LIG    1       -8.834  -1.935   1.962  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -7.950  -1.430   1.403  0.00  0.00    +0.101 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.171   0.016   1.039  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.035   0.783   0.032  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.369   0.114  -0.186  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1        3.377  -1.047  -0.928  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        2.507  -1.415  -1.297  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.503  -1.782  -1.233  0.00  0.00    +0.258 A 
ATOM     22  O   LIG    1        4.450  -2.811  -1.897  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.783  -1.260  -0.715  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.777  -0.086   0.028  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1        6.898   0.472   0.546  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        8.062  -0.175   0.305  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        8.161  -1.351  -0.426  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.995  -1.906  -0.948  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        4.522   0.613   0.288  0.00  0.00    +0.049 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6