REMARK  Name = BDB019430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.043  -0.318   0.688  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.922  -1.127   0.699  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.248  -1.412   1.983  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.307  -2.583   1.672  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.997  -3.300   0.524  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.594  -2.151  -0.290  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -3.404   0.292   1.700  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.409  -0.242   2.530  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.077   0.710   1.592  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.454   0.605   0.661  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.042  -0.242   3.673  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        0.810   1.810   1.869  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.132   1.593   1.179  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        3.103   0.769   1.764  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.321   0.539   1.120  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.590   1.123  -0.125  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        3.614   1.938  -0.714  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.394   2.169  -0.070  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.863   0.866  -0.798  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        6.449  -0.333  -1.187  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        5.884  -1.700  -1.028  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1        7.692  -0.210  -1.791  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1        8.030   1.058  -1.852  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1        6.904   2.172  -1.208  0.00  0.00    -0.075 S 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -2.024  -4.135   1.053  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -2.437  -4.615   0.315  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -3.801  -0.121  -0.646  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.069   0.540  -0.352  0.00  0.00    -0.304 N 
ATOM     29  H   LIG    1       -5.158   0.949   0.575  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1       -6.154   0.452  -1.183  0.00  0.00    +0.211 C 
ATOM     31  O   LIG    1       -6.134  -0.151  -2.252  0.00  0.00    -0.276 OA
ATOM     32  C   LIG    1       -7.387   1.149  -0.677  0.00  0.00    +0.109 C 
ENDBRANCH  27  28
BRANCH  27  34
ATOM     33  C   LIG    1       -2.645   2.092  -1.244  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -2.973   0.666  -1.673  0.00  0.00    +0.028 C 
ENDBRANCH  27  34
ENDBRANCH   1  27
TORSDOF 8