REMARK  Name = BDB012130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.388  -0.145  -0.917  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -1.570   0.920  -0.567  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -2.021   2.176   0.118  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -0.184   0.681  -0.936  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -0.037  -0.531  -1.591  0.00  0.00    +0.103 A 
ATOM      6  S   LIG    1       -1.502  -1.391  -1.693  0.00  0.00    -0.062 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.909   1.626  -0.703  0.00  0.00    +0.246 C 
ATOM      8  N   LIG    1        2.048   1.064  -0.176  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.976   0.155   0.262  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.790   2.825  -0.925  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.159   1.896   0.230  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.388   1.047   0.336  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.698   0.530   1.708  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        3.954   0.729   2.663  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        5.852  -0.199   1.842  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.044  -0.539   2.777  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        6.706  -0.502   0.811  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        7.911  -1.327   1.140  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        6.421  -0.057  -0.422  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        5.233   0.744  -0.675  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        5.043   1.159  -2.109  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   5  22
ATOM     22  C   LIG    1        1.172  -1.043  -2.157  0.00  0.00    +0.107 C 
ATOM     23  N   LIG    1        2.166  -1.452  -2.596  0.00  0.00    -0.190 NA
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  N   LIG    1       -3.739  -0.296  -0.737  0.00  0.00    -0.321 N 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.268  -0.575   0.629  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1       -5.546  -1.433   0.510  0.00  0.00    +0.050 C 
ATOM     27  C   LIG    1       -5.793  -2.287   1.746  0.00  0.00    +0.161 C 
ATOM     28  O   LIG    1       -5.322  -1.609   2.903  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -3.897  -1.523   2.932  0.00  0.00    +0.161 C 
ATOM     30  C   LIG    1       -3.278  -1.294   1.554  0.00  0.00    +0.050 C 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     31  C   LIG    1       -4.968  -0.139  -2.865  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -4.590   0.576  -1.576  0.00  0.00    +0.102 C 
ENDBRANCH  24  32
ENDBRANCH   1  24
TORSDOF 7