REMARK  Name = BDB061451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.471  -4.715  -0.118  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.192  -3.976  -0.272  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -0.998  -2.681   0.159  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1        0.294  -2.337  -0.135  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1        0.828  -3.444  -0.768  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        2.147  -3.351  -1.219  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.809  -2.132  -1.007  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.160  -1.075  -0.352  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.890  -1.161   0.115  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -0.096  -4.455  -0.838  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.792   0.243  -0.134  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        4.164   0.398   0.094  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        4.689   1.669   0.305  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        3.931   2.775   0.303  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        2.613   2.635   0.100  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        2.014   1.409  -0.129  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        6.062   1.827   0.536  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        6.586   1.474  -0.258  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        6.333   1.301   1.361  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        1.852   3.805   0.103  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        2.492   4.556   0.353  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        1.083   3.726   0.760  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -1.939  -1.798   0.814  0.00  0.00    +0.169 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.346  -0.582  -0.036  0.00  0.00    +0.192 C 
ATOM     25  C   LIG    1       -3.301  -0.979  -1.159  0.00  0.00    +0.054 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -3.027   0.330   0.845  0.00  0.00    -0.472 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.761   1.667   0.622  0.00  0.00    +0.215 A 
ATOM     28  N   LIG    1       -2.054   2.049  -0.461  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1       -1.827   3.372  -0.608  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1       -2.286   4.334   0.277  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -3.023   3.915   1.379  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.268   2.556   1.556  0.00  0.00    +0.067 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7