REMARK  Name = BDB014222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.978  -0.231   0.559  0.00  0.00    +0.052 A 
ATOM      2  N   LIG    1       -2.128  -0.428  -0.173  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -2.406  -1.322  -0.567  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -2.832   0.746  -0.290  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -2.115   1.718   0.396  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -2.520   3.006   0.493  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.683   3.288  -0.130  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.461   2.384  -0.837  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -4.035   1.059  -0.931  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -0.958   1.103   0.928  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.783   0.017  -1.658  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -4.446  -1.147  -1.778  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.920   0.482  -2.204  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -6.310  -0.302  -2.645  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.025  -1.345   0.843  0.00  0.00    +0.191 C 
BRANCH  15  18
ATOM     16  C   LIG    1        3.760  -0.797   0.882  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        2.446  -1.038   1.295  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        1.388  -1.074   0.372  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        1.676  -0.863  -0.985  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.984  -0.623  -1.402  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.025  -0.590  -0.471  0.00  0.00    +0.045 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.028  -0.508   1.534  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        4.682  -0.793   1.893  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  18
BRANCH  15  24
ATOM     24  O   LIG    1       -0.536  -2.507   0.188  0.00  0.00    -0.381 OA
ATOM     25  H   LIG    1        0.231  -3.078   0.007  0.00  0.00    +0.211 HD
ENDBRANCH  15  24
ENDBRANCH   1  15
TORSDOF 6