REMARK  Name = BDB017030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.040  -0.241  -0.725  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.172  -0.204  -1.799  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.876  -0.906  -1.426  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.724  -1.397  -0.161  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1       -0.496  -0.989   0.300  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.024   1.761  -1.723  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -2.773   1.149  -1.793  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.340   0.415  -0.698  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -3.082   0.271   0.432  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -4.288   0.875   0.468  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -4.800   1.624  -0.573  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.651   3.124  -2.846  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -4.571   2.563  -2.840  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.741   2.626  -3.894  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -4.219   3.178  -4.548  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        1.665  -2.253   0.541  0.00  0.00    +0.157 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.903  -1.503   0.961  0.00  0.00    -0.028 A 
ATOM     18  C   LIG    1        2.838  -0.515   1.955  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.986   0.178   2.342  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.210  -0.109   1.742  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.288  -1.089   0.754  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.142  -1.783   0.365  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5