REMARK  Name = BDB051146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.219  -1.761  -0.145  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.335  -2.319  -0.775  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.604  -1.760  -0.609  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.779  -0.631   0.200  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        2.658  -0.072   0.827  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.387  -0.633   0.656  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.043  -2.407  -0.405  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.163  -1.905   0.175  0.00  0.00    +0.247 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.766  -0.794  -0.690  0.00  0.00    +0.145 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -4.077  -0.676   0.155  0.00  0.00    +0.237 C 
ATOM     11  N   LIG    1       -2.855  -0.084  -0.044  0.00  0.00    -0.309 N 
ATOM     12  H   LIG    1       -2.723   0.893   0.176  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1       -4.332  -1.837  -0.133  0.00  0.00    -0.271 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -6.318  -0.185   1.028  0.00  0.00    -0.022 C 
ATOM     15  C   LIG    1       -5.072   0.244   0.767  0.00  0.00    +0.063 C 
BRANCH  14  17
ATOM     16  C   LIG    1       -7.144   2.050   2.009  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -7.444   0.603   1.640  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  15
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        5.148  -0.012   0.362  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.497   0.941  -0.736  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        6.333   0.730  -1.762  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1        6.482   1.788  -2.603  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1        7.063   1.808  -3.425  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1        5.766   2.914  -2.274  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1        5.752   3.970  -2.881  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1        4.863   2.575  -0.794  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1        7.012  -0.419  -2.014  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1        7.507  -0.292  -2.838  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9