REMARK  Name = BDB060075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.576   0.432  -1.904  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.858  -0.545  -1.198  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.501  -0.686  -1.516  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.124   0.085  -2.492  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.451  -0.239  -2.600  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.665  -1.193  -1.712  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.620   1.037  -3.206  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.499  -1.506  -1.044  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.351  -2.502  -0.009  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.978   1.196  -2.907  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.924   0.636  -1.691  0.00  0.00    -0.456 OA
BRANCH  11  17
ATOM     12  C   LIG    1       -7.203  -0.374   1.756  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -5.956   0.321   1.297  0.00  0.00    +0.042 A 
ATOM     14  N   LIG    1       -5.319   1.110   2.195  0.00  0.00    -0.260 NA
ATOM     15  C   LIG    1       -4.206   1.756   1.780  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1       -3.680   1.645   0.508  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1       -4.335   0.807  -0.388  0.00  0.00    +0.132 A 
ATOM     18  C   LIG    1       -5.500   0.150  -0.004  0.00  0.00    +0.069 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.983  -1.850  -1.456  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.307  -1.742  -0.066  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.983  -0.631   0.357  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        4.508  -0.728   1.648  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        5.205   0.346   2.209  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        5.406   1.518   1.473  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.872   1.620   0.189  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.155   0.552  -0.363  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        5.746   0.195   3.578  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        6.254  -0.833   3.986  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.574   1.300   4.335  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        5.001   1.980   3.935  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7