REMARK  Name = BDB049986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.210  -0.929  -0.889  0.00  0.00    +0.148 A 
ATOM      2  C   LIG    1       -0.218  -1.663  -2.008  0.00  0.00    +0.146 A 
ATOM      3  N   LIG    1       -1.419  -2.279  -2.014  0.00  0.00    -0.233 NA
ATOM      4  C   LIG    1       -2.193  -2.150  -0.902  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -3.527  -2.830  -0.946  0.00  0.00    +0.068 C 
ATOM      6  C   LIG    1       -1.754  -1.421   0.207  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -0.552  -0.795   0.228  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -2.506  -1.264   1.440  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1       -2.834  -0.051   2.022  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -3.544  -0.347   3.187  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1       -4.006   0.749   3.970  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.756   2.011   3.572  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.020   2.289   2.350  0.00  0.00    +0.018 A 
ATOM     14  N   LIG    1       -3.671  -1.644   3.364  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1       -2.579   1.260   1.606  0.00  0.00    +0.093 A 
ATOM     16  C   LIG    1       -3.027  -2.214   2.300  0.00  0.00    +0.141 A 
ENDBRANCH   6   8
BRANCH   1  21
ATOM     17  C   LIG    1        3.228   0.911  -1.409  0.00  0.00    +0.237 A 
ATOM     18  N   LIG    1        3.314   0.831  -0.066  0.00  0.00    -0.145 NA
ATOM     19  N   LIG    1        2.206   0.123   0.243  0.00  0.00    -0.246 N 
ATOM     20  C   LIG    1        1.947  -0.221   1.620  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1        1.476  -0.195  -0.874  0.00  0.00    +0.181 A 
ATOM     22  N   LIG    1        2.109   0.294  -1.927  0.00  0.00    -0.201 NA
BRANCH  17  26
ATOM     23  C   LIG    1        6.307   2.948  -2.080  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1        5.290   2.120  -1.495  0.00  0.00    -0.312 N 
ATOM     25  H   LIG    1        5.194   2.047  -0.486  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        4.239   1.607  -2.235  0.00  0.00    +0.283 C 
ATOM     27  O   LIG    1        4.152   1.732  -3.454  0.00  0.00    -0.267 OA
ENDBRANCH  17  26
ENDBRANCH   1  21
BRANCH   2  28
ATOM     28  N   LIG    1        0.580  -1.897  -3.124  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1        0.028  -2.337  -3.852  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.077  -1.057  -3.424  0.00  0.00    +0.144 HD
ENDBRANCH   2  28
TORSDOF 4