REMARK  Name = BDB045666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.636   0.546  -0.352  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.426  -0.026  -0.486  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        0.604   0.432   0.253  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        0.443   1.470   1.137  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.817   2.002   1.220  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.857   1.562   0.495  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.814  -0.231   0.040  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        1.646  -0.952  -0.650  0.00  0.00    +0.155 HD
BRANCH   7   9
ATOM      9  C   LIG    1        3.046  -0.073   0.564  0.00  0.00    +0.146 A 
ATOM     10  N   LIG    1        3.448   0.820   1.470  0.00  0.00    -0.158 NA
ATOM     11  N   LIG    1        4.749   0.557   1.659  0.00  0.00    -0.279 N 
ATOM     12  H   LIG    1        5.274   1.119   2.328  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1        5.220  -0.472   0.885  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.123  -0.907   0.172  0.00  0.00    +0.069 A 
BRANCH  13  15
ATOM     15  C   LIG    1        6.635  -0.946   0.940  0.00  0.00    +0.125 C 
ATOM     16  C   LIG    1        7.598   0.105   1.488  0.00  0.00    +0.224 C 
ATOM     17  O   LIG    1        7.392   0.826   2.454  0.00  0.00    -0.275 OA
ATOM     18  N   LIG    1        8.752   0.065   0.717  0.00  0.00    -0.304 N 
ATOM     19  C   LIG    1        9.983   0.725   1.083  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1        8.719  -1.012  -0.236  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1        7.233  -1.245  -0.438  0.00  0.00    +0.038 C 
ENDBRANCH  13  15
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  N   LIG    1       -2.692   0.060  -1.108  0.00  0.00    -0.300 N 
BRANCH  22  24
ATOM     23  C   LIG    1       -1.892  -0.012  -3.443  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.390  -0.804  -2.241  0.00  0.00    +0.104 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -3.950   0.801  -1.097  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.836   0.400   0.104  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -5.202  -1.100   0.051  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -6.474  -1.388   0.841  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -7.686  -0.676   0.218  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -7.307   0.655  -0.456  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -6.087   1.301   0.192  0.00  0.00    +0.006 C 
BRANCH  29  32
ATOM     32  N   LIG    1       -8.706  -0.485   1.252  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1       -9.515  -0.011   0.852  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -8.347   0.135   1.977  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 8