REMARK  Name = BDB050987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.196   0.538   0.302  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.878  -0.743   0.852  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1        0.238   0.450   0.605  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.781   1.261   0.341  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        0.270  -1.800   1.024  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1        2.417  -0.672   0.953  0.00  0.00    +0.169 C 
BRANCH   6   7
ATOM      7  N   LIG    1        2.908  -2.038   1.140  0.00  0.00    -0.303 N 
ATOM      8  H   LIG    1        2.209  -2.775   1.075  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        4.147  -2.303   1.657  0.00  0.00    +0.211 C 
ATOM     10  O   LIG    1        4.959  -1.424   1.931  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1        4.438  -3.763   1.870  0.00  0.00    +0.109 C 
ENDBRANCH   6   7
BRANCH   6  12
ATOM     12  C   LIG    1        3.090   0.031  -0.240  0.00  0.00    +0.100 C 
BRANCH  12  14
ATOM     13  C   LIG    1        3.771   0.275  -2.906  0.00  0.00    +0.084 C 
ATOM     14  S   LIG    1        2.592  -0.634  -1.877  0.00  0.00    -0.162 S 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -1.421   0.434  -1.243  0.00  0.00    +0.163 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.379   1.159  -1.917  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1        0.402   0.570  -1.931  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.535  -1.029  -1.749  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.711  -1.614  -1.185  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -3.483  -1.280  -1.672  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -1.593  -1.115  -3.288  0.00  0.00    +0.037 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.357  -2.532  -3.858  0.00  0.00    -0.015 C 
ATOM     23  C   LIG    1       -1.278  -2.460  -5.387  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -2.429  -3.543  -3.452  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   1  25
ATOM     25  C   LIG    1       -1.753   1.885   0.823  0.00  0.00    +0.028 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.939   1.962   2.360  0.00  0.00    -0.009 C 
ATOM     27  C   LIG    1       -2.757   3.216   2.744  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -1.869   4.383   3.159  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -1.025   4.041   4.387  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -0.699   2.552   4.500  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -0.604   1.894   3.128  0.00  0.00    +0.003 C 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 13