REMARK  Name = BDB003110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.373   0.110  -0.000  0.00  0.00    +0.301 C 
ATOM      2  N   LIG    1        0.414  -0.357  -1.127  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1        0.401   0.517  -2.194  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        1.005   0.439  -3.246  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.491   1.620  -1.823  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -0.849   2.732  -2.562  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -1.711   3.650  -1.960  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.182   3.437  -0.651  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.802   2.303   0.076  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.953   1.390  -0.528  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -1.393  -0.852   0.234  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -1.860  -0.883   1.507  0.00  0.00    +0.309 C 
ATOM     13  O   LIG    1       -1.471  -0.176   2.425  0.00  0.00    -0.251 OA
BRANCH  12  15
ATOM     14  C   LIG    1       -4.263  -1.367   1.087  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1       -2.957  -1.906   1.636  0.00  0.00    +0.117 C 
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  C   LIG    1        1.280  -1.512  -1.040  0.00  0.00    +0.147 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.486  -1.253  -0.171  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.531  -0.443  -0.638  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.639  -0.181   0.168  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.711  -0.723   1.450  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.677  -1.526   1.927  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.567  -1.790   1.122  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5