REMARK  Name = BDB015512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.736  -0.381  -0.217  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -0.832   0.895  -0.638  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.147   1.352  -1.437  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.186   0.636  -1.878  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        1.238  -0.618  -1.424  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.293  -1.203  -0.619  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -5.598  -0.281   1.241  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -4.188  -0.766   1.347  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.892  -1.752   2.434  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -4.794  -2.149   3.168  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -2.562  -2.158   2.538  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -2.186  -3.091   3.590  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.573  -1.705   1.678  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -1.830  -0.847   0.673  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.196  -0.360   0.540  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        2.358  -1.314  -1.950  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        2.821  -0.648  -2.575  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.480  -1.834  -0.794  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        4.352  -0.713  -0.524  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.771  -2.510   0.274  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.394  -3.083  -1.724  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        5.052  -2.498  -2.969  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.439  -3.735  -0.822  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.080   2.651  -1.922  0.00  0.00    -0.423 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.580   3.559  -1.112  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1       -0.129   3.908   0.178  0.00  0.00    +0.062 A 
ATOM     27  C   LIG    1       -0.853   4.864   0.881  0.00  0.00    +0.138 A 
ATOM     28  O   LIG    1       -0.291   5.080   2.103  0.00  0.00    -0.463 OA
ATOM     29  C   LIG    1        0.797   4.272   2.187  0.00  0.00    +0.196 A 
ATOM     30  C   LIG    1       -1.986   5.510   0.390  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -2.395   5.166  -0.904  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        0.946   3.538   1.033  0.00  0.00    +0.053 A 
ATOM     33  C   LIG    1       -1.700   4.212  -1.650  0.00  0.00    +0.047 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6