REMARK  Name = BDB061624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.888   1.651  -0.446  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -1.032   1.116   0.841  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.032   0.175   1.126  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.129  -0.380   2.518  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -2.931  -0.194   0.111  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.750   0.264  -1.204  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -3.606  -0.216  -2.340  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.738   1.201  -1.463  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        0.209   2.643  -0.747  0.00  0.00    +0.184 C 
BRANCH   9  13
ATOM     10  N   LIG    1        3.314   0.846  -1.188  0.00  0.00    -0.250 N 
ATOM     11  C   LIG    1        2.435   1.509  -0.347  0.00  0.00    +0.351 A 
ATOM     12  O   LIG    1        2.478   1.668   0.865  0.00  0.00    -0.244 OA
ATOM     13  N   LIG    1        1.421   1.994  -1.185  0.00  0.00    -0.208 N 
ATOM     14  N   LIG    1        1.645   1.618  -2.484  0.00  0.00    -0.157 NA
ATOM     15  C   LIG    1        2.759   0.960  -2.417  0.00  0.00    +0.230 A 
BRANCH  10  19
ATOM     16  C   LIG    1        6.928  -1.159  -0.156  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        6.164  -0.535   0.823  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.973   0.125   0.481  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        4.515   0.178  -0.844  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        5.300  -0.457  -1.819  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        6.489  -1.115  -1.477  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1        8.581  -1.913   1.375  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        8.101  -1.832   0.039  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  10  19
ENDBRANCH   9  13
ENDBRANCH   1   9
BRANCH   5  24
ATOM     24  O   LIG    1       -3.924  -1.092   0.397  0.00  0.00    -0.475 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -5.228  -0.565   0.739  0.00  0.00    +0.200 C 
ATOM     26  C   LIG    1       -5.616  -1.231   2.069  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1       -5.342   0.964   0.884  0.00  0.00    +0.067 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.238  -1.073  -0.307  0.00  0.00    +0.348 C 
ATOM     29  O   LIG    1       -6.051  -1.903  -1.185  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.475  -0.542  -0.174  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -7.988  -0.981  -0.885  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 8