REMARK  Name = BDB057724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.173  -1.083  -0.065  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -0.086  -0.101  -0.282  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.149  -1.526   1.200  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1       -0.160  -2.633   1.628  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.886  -0.568   2.074  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.655   0.481   1.556  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        2.341   1.361   2.412  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        2.255   1.167   3.797  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        1.500   0.116   4.319  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.822  -0.750   3.461  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        3.170   2.480   1.836  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  N   LIG    1        4.362   1.960   1.204  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        5.118   1.666   1.803  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        4.459   1.819  -0.162  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        3.591   2.187  -0.946  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.710   1.195  -0.674  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.180   1.588  -1.933  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.348   1.026  -2.451  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.043   0.064  -1.720  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.568  -0.345  -0.473  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.401   0.215   0.051  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  C   LIG    1       -1.000  -1.867  -0.955  0.00  0.00    +0.139 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -5.051  -0.351  -0.918  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -4.171   0.005  -1.948  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.864  -0.486  -1.965  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.417  -1.351  -0.958  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -3.298  -1.704   0.073  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.604  -1.212   0.090  0.00  0.00    +0.004 A 
BRANCH  23  29
ATOM     29  C   LIG    1       -6.469   0.164  -0.911  0.00  0.00    +0.046 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.418  -0.800  -1.617  0.00  0.00    +0.125 C 
BRANCH  30  32
ATOM     31  O   LIG    1       -9.217   0.790  -1.160  0.00  0.00    -0.251 OA
ATOM     32  C   LIG    1       -8.823  -0.269  -1.615  0.00  0.00    +0.305 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -9.683  -1.121  -2.207  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1      -10.550  -0.668  -2.145  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 10