REMARK  Name = BDB014546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.124  -1.171   2.707  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -1.286   0.126   2.258  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -2.158   0.348   1.770  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.053  -1.612   3.115  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.391  -2.007   2.626  0.00  0.00    +0.326 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.746  -1.988   1.243  0.00  0.00    -0.466 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -4.659  -1.826  -0.120  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1       -4.055  -2.357   1.024  0.00  0.00    +0.238 A 
ATOM      9  N   LIG    1       -4.642  -3.236   1.863  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1       -5.913  -3.580   1.558  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -6.610  -3.090   0.460  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -5.971  -2.189  -0.391  0.00  0.00    +0.031 A 
BRANCH   7  13
ATOM     13  N   LIG    1       -3.989  -0.817  -0.913  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1       -2.972  -0.936  -0.803  0.00  0.00    +0.173 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.662   1.717  -1.719  0.00  0.00    +0.218 C 
ATOM     16  S   LIG    1       -4.355   0.766  -0.387  0.00  0.00    +0.040 S 
ATOM     17  O   LIG    1       -3.583   1.002   0.815  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1       -5.790   0.949  -0.409  0.00  0.00    -0.155 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.140   0.938   1.901  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.490   0.475   0.576  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.464   0.605  -0.501  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.103   0.652  -1.300  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        1.733   1.325   0.233  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.253   1.004  -1.120  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        3.217   2.031  -1.571  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        4.663   1.713  -1.283  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.109   0.408  -1.553  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.454   0.075  -1.394  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.355   1.042  -0.948  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.916   2.339  -0.672  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.069  -0.576  -2.017  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.573   2.678  -0.846  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        2.799  -0.379  -1.171  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10