REMARK  Name = BDB028861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.344   2.370  -1.671  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -1.055   1.212  -0.976  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1       -2.085   0.301  -1.247  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1       -2.072  -1.002  -0.672  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -1.040  -1.309   0.136  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1        0.024  -0.279   0.385  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1       -3.003   0.852  -2.099  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.005   0.909  -0.159  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -2.551   2.080  -2.336  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.338   4.819  -1.136  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.545   3.638  -1.701  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.042   3.955  -3.111  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1        1.066  -0.626   1.222  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1        0.901  -1.411   1.841  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.995   0.368   1.747  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.205  -0.324   2.396  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        4.147   0.695   3.056  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1        5.375  -0.000   3.692  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1        5.735  -1.286   3.086  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1        6.721  -1.478   3.265  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        5.476  -1.283   1.653  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        3.974  -1.192   1.375  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1        3.449   1.443   4.050  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        3.185   0.828   4.757  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1       -3.087  -1.938  -0.925  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -2.812  -2.894  -0.717  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -4.080  -1.852  -1.984  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.957  -3.052  -2.001  0.00  0.00    +0.053 A 
ATOM     29  N   LIG    1       -5.922  -3.244  -1.051  0.00  0.00    -0.280 N 
ATOM     30  H   LIG    1       -6.149  -2.645  -0.263  0.00  0.00    +0.189 HD
ATOM     31  N   LIG    1       -6.614  -4.385  -1.215  0.00  0.00    -0.182 NA
ATOM     32  C   LIG    1       -6.075  -4.926  -2.309  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -5.035  -4.141  -2.840  0.00  0.00    +0.045 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8