REMARK  Name = BDB053552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.084   1.006  -1.368  0.00  0.00    +0.288 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.525   0.792  -1.687  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1        2.127   0.544  -2.901  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        1.640   0.372  -4.280  0.00  0.00    +0.088 C 
ATOM      5  O   LIG    1        3.471   0.443  -2.692  0.00  0.00    -0.440 OA
ATOM      6  C   LIG    1        3.636   0.642  -1.338  0.00  0.00    +0.234 A 
ATOM      7  N   LIG    1        2.494   0.863  -0.707  0.00  0.00    -0.210 NA
BRANCH   6   8
ATOM      8  C   LIG    1        4.929   0.627  -0.707  0.00  0.00    +0.075 A 
ATOM      9  S   LIG    1        5.118   0.786   0.985  0.00  0.00    -0.084 S 
ATOM     10  C   LIG    1        6.832   0.697   0.896  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        7.241   0.529  -0.415  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        6.151   0.489  -1.334  0.00  0.00    +0.021 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.657   0.770   2.114  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        7.333   1.627   3.178  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        8.139   1.690   4.319  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        9.282   0.901   4.413  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        9.622   0.049   3.366  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        8.816  -0.015   2.225  0.00  0.00    +0.009 A 
ENDBRANCH  10  13
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  O   LIG    1       -0.744   0.080  -2.080  0.00  0.00    -0.486 OA
BRANCH  19  23
ATOM     20  C   LIG    1       -4.841  -0.094  -1.285  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1       -4.144   1.085  -0.989  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.769   1.182  -1.231  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -2.077   0.101  -1.774  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.771  -1.072  -2.083  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.140  -1.175  -1.831  0.00  0.00    +0.007 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -6.321  -0.209  -1.007  0.00  0.00    +0.078 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.632  -0.794   0.379  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.488   0.302   1.436  0.00  0.00    +0.334 C 
ATOM     29  O   LIG    1       -5.583   0.407   2.250  0.00  0.00    -0.248 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.489   1.208   1.424  0.00  0.00    -0.479 OA
ATOM     31  H   LIG    1       -7.272   1.818   2.160  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
BRANCH  27  32
ATOM     32  O   LIG    1       -7.956  -1.344   0.326  0.00  0.00    -0.365 OA
BRANCH  32  34
ATOM     33  C   LIG    1       -7.769  -3.606   1.185  0.00  0.00    +0.034 C 
ATOM     34  C   LIG    1       -8.276  -2.195   1.425  0.00  0.00    +0.157 C 
ENDBRANCH  32  34
ENDBRANCH  27  32
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 11