REMARK  Name = BDB002860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.007   0.352   0.001  0.00  0.00    +0.145 C 
ATOM      2  N   LIG    1        1.040  -0.424  -0.369  0.00  0.00    -0.187 NA
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        2.388  -2.437   1.190  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1        3.413  -1.334   1.217  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        3.243  -0.099   0.700  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        4.358   0.878   0.852  0.00  0.00    +0.263 A 
ATOM      7  O   LIG    1        4.263   2.029   0.432  0.00  0.00    -0.267 OA
ATOM      8  N   LIG    1        5.487   0.439   1.479  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        6.251   1.088   1.587  0.00  0.00    +0.173 HD
ATOM     10  C   LIG    1        5.659  -0.810   1.993  0.00  0.00    +0.327 A 
ATOM     11  O   LIG    1        6.691  -1.150   2.558  0.00  0.00    -0.247 OA
ATOM     12  N   LIG    1        4.601  -1.658   1.841  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1        4.739  -2.586   2.228  0.00  0.00    +0.170 HD
ENDBRANCH   1   5
BRANCH   2  14
ATOM     14  N   LIG    1       -0.002   0.178  -1.008  0.00  0.00    -0.206 N 
ATOM     15  H   LIG    1        0.040   1.172  -1.209  0.00  0.00    +0.177 HD
ATOM     16  C   LIG    1       -1.080  -0.588  -1.432  0.00  0.00    +0.249 C 
ATOM     17  O   LIG    1       -1.169  -1.809  -1.294  0.00  0.00    -0.272 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.176   0.236  -2.149  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.205  -0.657  -2.721  0.00  0.00    -0.320 NA
ATOM     20  H   LIG    1       -2.722  -1.349  -3.302  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -3.575  -1.230  -1.958  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
BRANCH  18  22
ATOM     22  C   LIG    1       -2.804   1.346  -1.286  0.00  0.00    +0.031 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.804   0.926  -0.184  0.00  0.00    -0.015 C 
ATOM     24  C   LIG    1       -3.180   0.046   0.898  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.398   2.181   0.465  0.00  0.00    +0.007 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   2  14
TORSDOF 6