REMARK  Name = BDB032850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.676   1.553   0.184  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -0.582   0.674   0.087  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.630   1.108  -0.495  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1        0.721   2.403  -1.029  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -0.365   3.271  -0.947  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.548   2.851  -0.339  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -3.106  -0.013   1.422  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1       -2.313  -0.646   1.347  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.999   1.209   0.802  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -3.930   2.007   0.744  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -4.350  -0.510   1.964  0.00  0.00    +0.104 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -4.639  -2.382   0.275  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -5.247  -1.133   0.896  0.00  0.00    +0.015 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.796   0.175  -0.560  0.00  0.00    +0.253 C 
ATOM     15  N   LIG    1        3.039   0.762  -0.549  0.00  0.00    -0.261 N 
ATOM     16  H   LIG    1        3.137   1.754  -0.385  0.00  0.00    +0.157 HD
ATOM     17  O   LIG    1        1.546  -1.027  -0.566  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.252   0.126  -0.626  0.00  0.00    +0.167 A 
ATOM     19  S   LIG    1        4.415  -1.551  -0.894  0.00  0.00    -0.028 S 
ATOM     20  C   LIG    1        6.102  -1.374  -0.847  0.00  0.00    +0.185 A 
ATOM     21  C   LIG    1        6.447  -0.060  -0.640  0.00  0.00    +0.153 A 
ATOM     22  N   LIG    1        5.372   0.805  -0.519  0.00  0.00    -0.231 NA
BRANCH  20  23
ATOM     23  N   LIG    1        6.988  -2.480  -1.009  0.00  0.00    +0.065 N 
ATOM     24  O   LIG    1        8.198  -2.223  -0.954  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        6.500  -3.602  -1.192  0.00  0.00    -0.126 OA
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   2  26
ATOM     26  O   LIG    1       -0.709  -0.614   0.562  0.00  0.00    -0.505 OA
ATOM     27  H   LIG    1        0.049  -1.148   0.224  0.00  0.00    +0.292 HD
ENDBRANCH   2  26
TORSDOF 7