REMARK  Name = BDB015519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.078  -0.593   0.462  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -1.001   0.449  -0.391  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.144   0.596  -1.078  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.224  -0.182  -0.960  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        1.093  -1.204  -0.113  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -0.025  -1.463   0.642  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.662  -3.435   2.729  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -4.064  -2.135   2.294  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.834  -0.894   2.629  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -5.890  -0.977   3.252  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -4.273   0.302   2.188  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -4.965   1.553   2.458  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -3.072   0.354   1.499  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.355  -0.749   1.209  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.904  -2.032   1.623  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        2.253  -1.998   0.017  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        2.112  -2.980   0.244  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.465  -1.357   0.988  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        2.855  -0.530   2.007  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.277  -2.497   1.362  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.407  -0.330  -0.151  0.00  0.00    +0.151 C 
ATOM     22  C   LIG    1        4.943  -1.109  -1.357  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1        6.446  -1.204  -1.136  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        6.780   0.102  -0.440  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        5.634   0.277   0.545  0.00  0.00    +0.028 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  26
ATOM     26  O   LIG    1        0.294   1.679  -1.936  0.00  0.00    -0.421 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -0.866   2.282  -2.354  0.00  0.00    +0.167 A 
ATOM     28  C   LIG    1       -1.793   1.613  -3.159  0.00  0.00    +0.168 A 
ATOM     29  F   LIG    1       -1.574   0.343  -3.531  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -2.946   2.254  -3.593  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -3.156   3.577  -3.226  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1       -4.265   4.206  -3.638  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -2.231   4.267  -2.444  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -1.073   3.620  -2.010  0.00  0.00    +0.052 A 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 6