REMARK  Name = BDB041042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.818   0.189  -0.025  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.358   0.548  -0.975  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        0.482   2.053  -1.344  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        1.199   2.424  -2.279  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -0.063   3.006  -0.516  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        0.134   3.975  -0.732  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -0.833   2.627   0.548  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.387   3.420   1.509  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -1.294   4.852   1.648  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -2.068   2.713   2.435  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -1.971   1.441   2.021  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -2.634   0.352   2.779  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -1.209   1.341   0.831  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -3.754  -1.953  -1.231  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1       -2.601  -1.515  -0.571  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -2.084  -0.221  -0.770  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1       -2.751   0.624  -1.671  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.901   0.191  -2.333  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -4.403  -1.093  -2.113  0.00  0.00    +0.045 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.280  -3.738  -1.599  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.136  -3.231  -0.925  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  16
BRANCH   2  22
ATOM     22  N   LIG    1        1.683   0.175  -0.443  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        2.442   0.811  -0.663  0.00  0.00    +0.150 HD
ATOM     24  C   LIG    1        2.023  -1.152  -0.277  0.00  0.00    +0.245 C 
ATOM     25  O   LIG    1        1.224  -2.070  -0.421  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.446  -1.433   0.057  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.247  -0.500   0.732  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        5.586  -0.796   1.025  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        6.434   0.187   1.779  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        6.105  -2.046   0.665  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        5.306  -2.983   0.007  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        3.978  -2.679  -0.294  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 4