REMARK  Name = BDB042656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.263  -1.292   1.423  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1        3.665   0.209   1.021  0.00  0.00    -0.326 N 
ATOM      3  C   LIG    1        3.414  -1.222   1.298  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1        2.373  -1.823   0.322  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1        1.092  -1.077   0.227  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1        1.401   0.351  -0.028  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1        2.411   0.998   0.954  0.00  0.00    +0.120 C 
BRANCH   2  11
ATOM      8  C   LIG    1        6.782   1.374  -1.513  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        6.417   0.073  -1.513  0.00  0.00    -0.243 NA
ATOM     10  C   LIG    1        5.401  -0.276  -0.680  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1        4.694   0.592   0.160  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.132   1.923   0.125  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.174   2.328  -0.713  0.00  0.00    +0.041 A 
BRANCH   8  15
ATOM     14  N   LIG    1        8.727   2.065  -3.091  0.00  0.00    -0.189 NA
ATOM     15  C   LIG    1        7.860   1.732  -2.393  0.00  0.00    +0.119 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.176  -0.771   1.294  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.922  -1.371   0.096  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.348  -0.883   0.024  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1       -4.243  -1.414   0.927  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.933  -2.103   1.603  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -5.582  -1.089   0.994  0.00  0.00    +0.258 A 
ATOM     22  O   LIG    1       -6.332  -1.593   1.823  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.064  -0.098   0.013  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.162   0.433  -0.901  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1       -5.507   1.349  -1.838  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1       -6.803   1.739  -1.855  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -7.770   1.259  -0.982  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.393   0.320  -0.026  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -3.764   0.013  -0.884  0.00  0.00    +0.049 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6