REMARK  Name = BDB015464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.472  -0.842   0.290  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.186   0.223   0.679  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.758   1.430   0.257  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.346   1.576  -0.555  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.998   0.411  -0.877  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.640  -0.803  -0.458  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.540   2.611   0.704  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.877   2.497   0.811  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.682   3.553   1.205  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.119   3.333   1.278  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.170   4.811   1.518  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.857   5.777   1.840  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.679   4.942   1.448  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.100   6.264   1.840  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.941   3.887   1.064  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.191   0.417  -1.635  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        2.203   1.051  -2.432  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.602   0.626  -0.743  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        3.323   1.570   0.320  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.622   0.922  -1.727  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.920  -1.013  -0.046  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        5.223  -0.988   0.747  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        3.965  -2.088  -1.125  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1       -0.910  -2.063   0.786  0.00  0.00    -0.419 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -1.338  -3.499  -1.096  0.00  0.00    +0.164 A 
ATOM     26  C   LIG    1       -0.561  -3.161   0.027  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1        0.524  -3.958   0.416  0.00  0.00    +0.098 A 
ATOM     28  C   LIG    1        0.852  -5.088  -0.341  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        0.095  -5.420  -1.465  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -0.996  -4.631  -1.840  0.00  0.00    +0.049 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -3.216  -2.998  -2.481  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -2.392  -2.667  -1.371  0.00  0.00    -0.491 OA
ENDBRANCH  25  32
BRANCH  27  33
ATOM     33  C   LIG    1        1.319  -3.627   1.560  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1        1.996  -3.372   2.468  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8