REMARK  Name = BDB003638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.240   2.220  -0.631  0.00  0.00    +0.123 C 
ATOM      2  C   LIG    1       -1.027   3.256   0.121  0.00  0.00    +0.212 C 
ATOM      3  O   LIG    1       -0.907   3.385   1.339  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.970   4.092  -0.628  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.977   4.045  -2.014  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.857   4.863  -2.735  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.731   5.716  -2.061  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.724   5.761  -0.667  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.044   3.160  -2.728  0.00  0.00    +0.213 C 
ATOM     10  O   LIG    1       -0.832   3.370  -3.919  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -2.842   4.953   0.051  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.364   2.050  -1.970  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   1  15
ATOM     13  N   LIG    1        1.312   0.008   1.642  0.00  0.00    -0.338 N 
ATOM     14  C   LIG    1        0.305   0.823   1.279  0.00  0.00    +0.181 A 
ATOM     15  N   LIG    1        0.602   1.357   0.084  0.00  0.00    -0.302 N 
ATOM     16  C   LIG    1        1.829   0.856  -0.332  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        2.263  -0.003   0.638  0.00  0.00    +0.105 A 
BRANCH  13  18
ATOM     18  C   LIG    1        1.310  -0.810   2.850  0.00  0.00    +0.123 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.614  -2.146   2.601  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     20  C   LIG    1        0.097  -4.468   3.400  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        0.698  -3.116   3.791  0.00  0.00    -0.016 C 
ATOM     22  C   LIG    1       -0.007  -2.577   5.035  0.00  0.00    +0.007 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  N   LIG    1        0.014   1.035  -2.802  0.00  0.00    -0.092 NA
BRANCH  23  24
ATOM     24  S   LIG    1       -0.661  -0.383  -2.429  0.00  0.00    +0.092 S 
ATOM     25  O   LIG    1       -1.138  -0.519  -1.049  0.00  0.00    -0.148 OA
ATOM     26  O   LIG    1       -1.581  -0.896  -3.436  0.00  0.00    -0.148 OA
BRANCH  24  27
ATOM     27  C   LIG    1        0.674  -1.610  -2.502  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        0.754  -2.609  -1.530  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        1.814  -3.514  -1.562  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.785  -3.415  -2.561  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.694  -2.417  -3.535  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        1.635  -1.510  -3.510  0.00  0.00    +0.029 A 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  12  23
TORSDOF 7