REMARK  Name = BDB014537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.665   1.490  -1.394  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.100   2.260  -0.404  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.371   2.049   0.553  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.242   1.466  -2.548  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.883   0.674  -0.956  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.011   0.667   0.464  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1        6.033  -1.419   0.968  0.00  0.00    +0.108 A 
ATOM      8  C   LIG    1        5.025  -0.732   0.277  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        4.047  -0.049   0.996  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        4.086  -0.065   2.394  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.085  -0.761   3.078  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        6.064  -1.447   2.364  0.00  0.00    +0.029 A 
BRANCH   7  13
ATOM     13  S   LIG    1        7.268  -2.289   0.041  0.00  0.00    +0.056 S 
ATOM     14  O   LIG    1        6.675  -2.734  -1.197  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        7.974  -3.180   0.934  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1        8.354  -1.052  -0.315  0.00  0.00    -0.204 NA
ATOM     17  H   LIG    1        8.011  -0.125  -0.069  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        9.248  -1.259   0.137  0.00  0.00    +0.144 HD
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.122   3.018  -0.594  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.384   2.260  -0.156  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.250   1.863   1.218  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.899   1.135   1.327  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -1.690   1.016  -1.018  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.848   0.250  -0.487  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.121   0.969  -0.719  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.354   0.154  -0.387  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.298  -1.249  -0.320  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.459  -1.981  -0.039  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.676  -1.327   0.151  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.741   0.062   0.066  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.979  -1.956  -0.486  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.587   0.799  -0.204  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -2.916  -1.069  -1.147  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10