REMARK  Name = BDB062633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.216   0.621   0.089  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -0.293   0.675   1.442  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.401   1.831  -0.691  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1        1.859  -1.529   0.671  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1        1.767  -0.247   0.115  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1        2.899   0.394  -0.416  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        4.143  -0.245  -0.406  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1        4.233  -1.530   0.138  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        3.104  -2.165   0.669  0.00  0.00    +0.048 A 
BRANCH   4  11
ATOM     10  C   LIG    1        0.848  -3.249   1.980  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        0.715  -2.096   1.159  0.00  0.00    -0.493 OA
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  C   LIG    1        5.367   0.442  -0.965  0.00  0.00    +0.038 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.352   0.929   0.115  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1        5.762   2.060   0.962  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1        7.650   1.403  -0.544  0.00  0.00    +0.007 C 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  N   LIG    1       -0.745  -0.392  -0.897  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1       -0.473  -0.198  -1.862  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.153  -0.211  -0.713  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -2.800  -0.912   0.300  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -4.157  -0.688   0.491  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1       -5.017  -1.317   1.540  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1       -6.399  -0.786   1.163  0.00  0.00    +0.118 C 
ATOM     23  N   LIG    1       -6.218   0.244   0.130  0.00  0.00    -0.271 N 
ATOM     24  C   LIG    1       -7.314   0.971  -0.283  0.00  0.00    +0.217 C 
ATOM     25  O   LIG    1       -8.440   0.750   0.175  0.00  0.00    -0.276 OA
ATOM     26  C   LIG    1       -7.145   2.059  -1.304  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -4.874   0.230  -0.286  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -4.222   0.940  -1.281  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1       -2.852   0.722  -1.489  0.00  0.00    +0.026 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6