REMARK  Name = BDB015529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.708  -0.786  -0.264  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        1.732   0.390  -0.923  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.549   0.972  -1.169  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.647   0.468  -0.834  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -0.613  -0.698  -0.191  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.532  -1.365   0.160  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        6.628  -0.335   0.906  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        5.406  -1.132   0.581  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        5.564  -2.620   0.522  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1        6.655  -3.132   0.763  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        4.419  -3.339   0.183  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1        4.497  -4.788   0.076  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1        3.199  -2.728  -0.065  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1        3.034  -1.394   0.016  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        4.203  -0.589   0.334  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1       -1.916  -1.115   0.184  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -2.540  -0.376  -0.152  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.421  -2.591  -0.469  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -1.365  -3.567  -0.296  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -2.975  -2.306  -1.774  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.763  -3.032   0.655  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -4.332  -4.395   0.269  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -4.864  -1.977   0.670  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.620   2.169  -1.869  0.00  0.00    -0.423 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.472   3.007  -1.734  0.00  0.00    +0.141 A 
ATOM     26  C   LIG    1       -0.767   3.678  -0.525  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -0.175   3.708   0.770  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -0.920   4.558   1.556  0.00  0.00    +0.086 A 
ATOM     29  N   LIG    1       -1.939   5.054   0.786  0.00  0.00    -0.350 N 
ATOM     30  C   LIG    1       -2.937   5.993   1.248  0.00  0.00    +0.149 C 
ATOM     31  C   LIG    1       -1.869   4.540  -0.492  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1       -2.674   4.762  -1.623  0.00  0.00    +0.026 A 
ATOM     33  C   LIG    1       -2.341   4.105  -2.812  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1       -1.249   3.244  -2.874  0.00  0.00    +0.047 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6