REMARK  Name = BDB014929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.236   5.228   1.801  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.779   4.336   0.763  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -2.063   4.707   0.158  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.687   3.536   0.115  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.148   2.750  -0.890  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -1.741   2.293  -0.892  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1       -1.710   0.816  -0.671  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.643  -0.069  -0.369  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.090  -1.326  -0.276  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.418  -1.253  -0.487  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.830   0.012  -0.765  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.203   0.496  -1.075  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.083   1.917  -1.669  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -4.883   3.539   0.395  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -3.229  -2.466  -0.413  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1       -2.976  -3.263   0.877  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -2.058  -4.441   0.597  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1       -2.630  -5.356  -0.340  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -3.413  -4.766  -1.377  0.00  0.00    +0.162 C 
ATOM     20  C   LIG    1       -3.036  -3.324  -1.670  0.00  0.00    +0.055 C 
ENDBRANCH  10  15
BRANCH   8  21
ATOM     21  N   LIG    1        0.630   0.365  -0.213  0.00  0.00    -0.296 N 
ATOM     22  H   LIG    1        0.811   1.362  -0.271  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.838  -0.325   0.059  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        3.016   0.434   0.213  0.00  0.00    +0.152 A 
ATOM     25  F   LIG    1        2.910   1.771   0.083  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        4.264  -0.151   0.480  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.322  -1.545   0.600  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        3.169  -2.318   0.452  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        1.939  -1.711   0.182  0.00  0.00    +0.026 A 
BRANCH  26  30
ATOM     30  C   LIG    1        5.457   0.667   0.637  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        6.752   0.245   0.406  0.00  0.00    +0.116 A 
ATOM     32  N   LIG    1        7.559   1.317   0.662  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1        8.997   1.366   0.557  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        6.886   2.415   1.044  0.00  0.00    -0.179 NA
ATOM     35  C   LIG    1        5.610   2.021   1.023  0.00  0.00    +0.143 A 
ENDBRANCH  26  30
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4