REMARK  Name = BDB048320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.874   4.984  -0.549  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.841   4.016   0.086  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.348   2.764   0.433  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.899   2.472   0.475  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.651   1.007   0.513  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.556   0.258   0.441  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.295  -1.052   0.520  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.044  -1.147   0.630  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -1.651   0.068   0.648  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.096   0.380   0.751  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.246   1.855   1.177  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.013   4.346   0.262  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.767   0.857   0.315  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.786   1.867   0.273  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.074   0.326   0.204  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.363  -1.043   0.187  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.681  -1.518   0.073  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        4.951  -2.994   0.089  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.734  -0.604   0.002  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        5.471   0.763   0.020  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.155   1.221   0.119  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -1.659  -2.465   0.718  0.00  0.00    +0.147 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.027  -2.999  -0.635  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.415  -2.817  -1.199  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -2.961  -4.179  -0.751  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4