REMARK  Name = BDB001395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.938  -2.320  -0.661  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -0.848  -1.167   0.258  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.952  -1.887   1.596  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -0.781  -3.259   1.411  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.789  -4.177   2.447  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.988  -3.688   3.736  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.198  -2.316   3.949  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.192  -1.410   2.880  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.750  -3.531  -0.025  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.667  -4.640  -0.516  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.506  -0.420   0.087  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.254  -0.477  -1.100  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.460   0.224  -1.252  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.985   1.024  -0.226  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        2.248   1.085   0.961  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        1.043   0.381   1.113  0.00  0.00    +0.009 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.311   1.776  -0.428  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1        5.443   0.765  -0.710  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        4.183   2.742  -1.625  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        4.743   2.618   0.794  0.00  0.00    +0.015 C 
ENDBRANCH  14  17
ENDBRANCH   2  11
BRANCH   1  21
ATOM     21  C   LIG    1       -1.376  -2.231  -2.047  0.00  0.00    +0.111 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.902  -2.193  -1.629  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -2.738  -2.876  -2.328  0.00  0.00    +0.016 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   2  24
ATOM     24  O   LIG    1       -2.027  -0.394   0.025  0.00  0.00    -0.346 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.977   1.000   0.298  0.00  0.00    +0.186 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.365   1.570   0.081  0.00  0.00    +0.193 C 
BRANCH  26  27
ATOM     27  S   LIG    1       -3.413   3.325   0.356  0.00  0.00    -0.032 S 
ATOM     28  O   LIG    1       -2.643   3.620   1.549  0.00  0.00    -0.175 OA
ATOM     29  O   LIG    1       -4.798   3.744   0.249  0.00  0.00    -0.175 OA
ATOM     30  C   LIG    1       -2.548   4.010  -1.038  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 8