REMARK  Name = BDB012123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.920   0.319  -0.568  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.877  -0.276   0.136  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.763  -0.286   1.632  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.096  -0.901  -0.748  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.278  -0.741  -2.070  0.00  0.00    +0.059 A 
ATOM      6  S   LIG    1       -1.716   0.147  -2.263  0.00  0.00    -0.096 S 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.058   1.047  -0.066  0.00  0.00    -0.034 C 
ATOM      8  C   LIG    1       -4.216   0.361   0.140  0.00  0.00    -0.063 C 
ATOM      9  C   LIG    1       -5.489   1.021   0.650  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -6.749   0.233   0.258  0.00  0.00    +0.085 C 
ATOM     11  N   LIG    1       -6.771  -1.151   0.744  0.00  0.00    -0.315 NA
ATOM     12  H   LIG    1       -7.217  -1.191   1.660  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -5.430  -1.741   0.847  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -4.397  -1.133  -0.114  0.00  0.00    +0.046 C 
BRANCH   7  16
ATOM     15  C   LIG    1       -3.141   3.435  -0.918  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -2.923   2.526   0.284  0.00  0.00    +0.033 C 
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        1.296  -1.632  -0.310  0.00  0.00    +0.245 C 
ATOM     18  N   LIG    1        2.290  -1.752  -1.255  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        2.245  -1.191  -2.096  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        1.412  -2.082   0.826  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.586  -2.310  -0.940  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.521  -1.207  -0.537  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.967  -0.329  -1.670  0.00  0.00    +0.254 A 
ATOM     24  O   LIG    1        4.543  -0.480  -2.813  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        5.862   0.664  -1.366  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        6.147   1.245  -2.145  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        6.345   0.915  -0.106  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        7.303   2.055   0.044  0.00  0.00    +0.063 C 
ATOM     29  C   LIG    1        5.938   0.143   0.911  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        5.005  -0.957   0.701  0.00  0.00    -0.039 A 
ATOM     31  C   LIG    1        4.659  -1.723   1.948  0.00  0.00    +0.044 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  17
TORSDOF 5