REMARK  Name = BDB057124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.268   2.560   0.594  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1        0.218   2.219  -0.271  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -0.924   1.565   0.202  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -1.012   1.240   1.554  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.025   1.581   2.427  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.158   2.240   1.952  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.508   3.244   0.067  0.00  0.00    +0.131 C 
BRANCH   7   9
ATOM      8  O   LIG    1        4.820   2.896   0.552  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        3.772   2.397   0.150  0.00  0.00    +0.223 C 
ATOM     10  N   LIG    1        3.599   1.111  -0.313  0.00  0.00    -0.264 N 
ATOM     11  H   LIG    1        2.685   0.780  -0.587  0.00  0.00    +0.157 HD
BRANCH  10  12
ATOM     12  C   LIG    1        4.612   0.196  -0.339  0.00  0.00    +0.165 A 
ATOM     13  S   LIG    1        4.140  -1.349  -0.886  0.00  0.00    -0.060 S 
ATOM     14  C   LIG    1        5.756  -1.894  -0.666  0.00  0.00    +0.076 A 
ATOM     15  C   LIG    1        6.546  -0.861  -0.193  0.00  0.00    +0.080 A 
ATOM     16  N   LIG    1        5.867   0.336  -0.011  0.00  0.00    -0.225 NA
BRANCH  15  17
ATOM     17  C   LIG    1        7.973  -0.955   0.111  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        8.638   0.171   0.609  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        9.989   0.079   0.896  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       10.717  -1.043   0.724  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1       10.062  -2.119   0.243  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        8.711  -2.127  -0.074  0.00  0.00    +0.030 A 
ENDBRANCH  15  17
ENDBRANCH  10  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  O   LIG    1       -1.852   1.283  -0.760  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.153   0.855  -0.348  0.00  0.00    +0.229 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.222  -0.669  -0.313  0.00  0.00    +0.041 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.507  -1.244   0.292  0.00  0.00    +0.007 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.750  -1.187  -0.616  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -6.826  -2.161  -0.111  0.00  0.00    +0.018 C 
ATOM     29  C   LIG    1       -8.051  -2.167  -1.033  0.00  0.00    +0.081 C 
ATOM     30  N   LIG    1       -8.403  -0.860  -1.595  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1       -8.009  -0.787  -2.534  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -7.885   0.236  -0.783  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -6.353   0.228  -0.742  0.00  0.00    +0.018 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 9