REMARK  Name = BDB015789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.418   1.104   0.333  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.016   0.118  -0.358  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.256  -0.944  -0.693  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.071  -1.029  -0.339  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.551   0.012   0.415  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.852   1.097   0.751  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.918  -2.016  -1.479  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.897  -1.677  -2.341  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.565  -2.614  -3.117  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.603  -2.147  -4.022  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.275  -3.974  -3.056  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.821  -4.846  -3.725  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.217  -4.361  -2.089  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.593  -3.431  -1.355  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.900   0.114   0.842  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.973   1.024   1.306  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.418  -1.079   1.919  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.091  -0.614   3.248  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.951  -2.373   1.463  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.216  -1.027   1.698  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        5.599  -1.646   0.351  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.823   0.381   1.816  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        5.710   1.005   3.199  0.00  0.00    +0.006 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -1.157   2.215   0.722  0.00  0.00    -0.420 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -3.553   2.336   0.696  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1       -2.323   2.434   0.027  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -2.280   2.825  -1.315  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -1.103   2.956  -1.944  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -3.450   3.093  -2.016  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.678   2.984  -1.368  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.729   2.614  -0.021  0.00  0.00    +0.007 A 
BRANCH  25  33
ATOM     32  C   LIG    1       -3.435   3.162   3.064  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -3.635   1.960   2.155  0.00  0.00    +0.035 C 
ENDBRANCH  25  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8