REMARK  Name = BDB037267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.275  -0.323  -0.735  0.00  0.00    +0.274 C 
ATOM      2  N   LIG    1        1.707  -1.060   0.332  0.00  0.00    -0.219 N 
ATOM      3  H   LIG    1        1.019  -1.598   0.836  0.00  0.00    +0.166 HD
ATOM      4  O   LIG    1        1.991   0.239  -1.556  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.253  -0.863   0.058  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -2.951  -0.159  -0.922  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -2.201   0.541  -1.877  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.812   0.500  -1.834  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.215  -0.240  -0.825  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1       -0.906  -0.927   0.127  0.00  0.00    -0.208 NA
BRANCH   5  12
ATOM     11  C   LIG    1       -2.219  -2.204   1.988  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1       -3.002  -1.534   1.005  0.00  0.00    -0.479 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -4.454  -0.105  -0.944  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -4.947   1.079  -0.255  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.168   2.219  -0.946  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -5.619   3.067  -0.018  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -5.700   2.476   1.256  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -5.264   1.185   1.070  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        3.239  -1.723   0.373  0.00  0.00    +0.159 S 
ATOM     20  O   LIG    1        3.401  -2.079   1.766  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1        3.160  -2.753  -0.762  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1        4.071  -3.191  -0.916  0.00  0.00    +0.199 HD
BRANCH  19  23
ATOM     23  C   LIG    1        4.467  -0.531   0.026  0.00  0.00    +0.135 A 
ATOM     24  C   LIG    1        4.315   0.774   0.474  0.00  0.00    +0.144 A 
ATOM     25  F   LIG    1        3.243   1.144   1.189  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        5.292   1.732   0.208  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.439   1.377  -0.502  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        6.604   0.060  -0.932  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        5.618  -0.888  -0.660  0.00  0.00    +0.144 A 
ATOM     30  F   LIG    1        5.829  -2.152  -1.055  0.00  0.00    -0.204 F 
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 6