REMARK  Name = BDB018848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.059   0.353  -1.157  0.00  0.00    +0.167 A 
ATOM      2  S   LIG    1       -0.722   0.814   0.297  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1       -2.225   0.904  -0.515  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.032   0.603  -1.847  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1       -0.733   0.312  -2.210  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.003  -0.047  -2.583  0.00  0.00    +0.140 C 
ATOM      7  N   LIG    1        1.440   0.129  -1.244  0.00  0.00    -0.252 N 
ATOM      8  C   LIG    1        2.244   0.071  -0.100  0.00  0.00    +0.242 C 
ATOM      9  O   LIG    1        1.840  -0.186   1.038  0.00  0.00    -0.273 OA
BRANCH   8  10
ATOM     10  C   LIG    1        3.752   0.323  -0.307  0.00  0.00    +0.170 C 
ATOM     11  N   LIG    1        4.324   1.220   0.760  0.00  0.00    -0.258 N 
ATOM     12  C   LIG    1        5.275   0.428   1.572  0.00  0.00    +0.117 C 
ATOM     13  C   LIG    1        5.778  -0.624   0.601  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1        4.530  -0.994  -0.178  0.00  0.00    +0.034 C 
BRANCH  11  15
ATOM     15  C   LIG    1        3.762   2.367   1.160  0.00  0.00    +0.170 C 
ATOM     16  N   LIG    1        3.286   3.373   1.477  0.00  0.00    -0.174 NA
ENDBRANCH  11  15
ENDBRANCH   8  10
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1       -3.481   1.277   0.205  0.00  0.00    +0.079 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.515   0.173   0.194  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -4.362  -0.950   1.021  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.308  -1.975   1.005  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.415  -1.890   0.163  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.577  -0.781  -0.665  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.631   0.246  -0.651  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5