REMARK  Name = BDB031548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.503  -0.821   1.783  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.415  -0.129   3.153  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  13
ATOM      3  C   LIG    1       -6.624   1.710  -2.733  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -5.553   1.083  -1.899  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -5.683  -0.388  -1.642  0.00  0.00    +0.252 A 
ATOM      6  O   LIG    1       -6.619  -1.042  -2.089  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1       -4.706  -0.976  -0.880  0.00  0.00    -0.321 N 
ATOM      8  H   LIG    1       -4.805  -1.969  -0.720  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.621  -0.269  -0.347  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -3.498   1.098  -0.585  0.00  0.00    +0.088 A 
ATOM     11  N   LIG    1       -2.485   1.852  -0.114  0.00  0.00    -0.253 NA
ATOM     12  C   LIG    1       -1.552   1.205   0.625  0.00  0.00    +0.116 A 
ATOM     13  C   LIG    1       -1.588  -0.157   0.940  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -2.655  -0.906   0.422  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -4.513   1.768  -1.391  0.00  0.00    +0.038 A 
ENDBRANCH   1  13
BRANCH   1  16
ATOM     16  N   LIG    1        0.706  -0.944   0.971  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1        1.613  -2.083   1.213  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1        1.706  -2.670   2.614  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1        2.798  -1.128   0.841  0.00  0.00    +0.204 C 
ATOM     20  C   LIG    1        1.796   0.011   1.201  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        3.250  -1.217  -0.533  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.146  -0.295  -1.002  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.371  -0.291  -2.374  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        5.230   0.545  -3.007  0.00  0.00    -0.241 NA
ATOM     25  C   LIG    1        5.903   1.424  -2.228  0.00  0.00    +0.140 A 
ATOM     26  C   LIG    1        5.748   1.493  -0.847  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        4.856   0.615  -0.227  0.00  0.00    +0.050 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.812   2.306  -2.907  0.00  0.00    +0.119 C 
ATOM     29  N   LIG    1        7.561   3.040  -3.409  0.00  0.00    -0.189 NA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  16
TORSDOF 5