REMARK  Name = BDB003604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.839   0.305  -0.279  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1        0.981   1.398  -0.485  0.00  0.00    +0.140 A 
ATOM      3  N   LIG    1       -0.353   1.288  -0.623  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1       -0.887   0.054  -0.579  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.110  -1.088  -0.419  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        1.270  -0.961  -0.262  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.221  -0.323   0.121  0.00  0.00    +0.405 C 
ATOM      8  N   LIG    1        3.208   0.564  -0.086  0.00  0.00    -0.248 N 
ATOM      9  H   LIG    1        3.471   1.540  -0.027  0.00  0.00    +0.158 HD
ATOM     10  O   LIG    1        4.156  -1.542   0.138  0.00  0.00    -0.226 OA
BRANCH   7  11
ATOM     11  O   LIG    1        5.369   0.382   0.308  0.00  0.00    -0.450 OA
BRANCH  11  13
ATOM     12  C   LIG    1        7.717   0.493   0.733  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        6.528  -0.428   0.541  0.00  0.00    +0.230 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  N   LIG    1        1.499   2.703  -0.580  0.00  0.00    -0.342 N 
ATOM     15  H   LIG    1        2.128   2.755  -1.375  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        0.689   3.301  -0.739  0.00  0.00    +0.144 HD
ENDBRANCH   2  14
BRANCH   4  17
ATOM     17  N   LIG    1       -2.271  -0.010  -0.742  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -2.561   0.962  -0.842  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.967  -0.644   0.370  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.456  -0.429   0.209  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -5.156  -1.073  -0.825  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.528  -0.875  -0.982  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -7.201  -0.030  -0.109  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1       -8.518   0.162  -0.259  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -6.528   0.623   0.917  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -5.155   0.427   1.076  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 7