REMARK  Name = BDB017390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.663  -0.105   1.319  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.145  -0.255   1.053  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1        0.440   0.548   0.304  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.579  -1.279   1.627  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1        0.189  -2.390   2.475  0.00  0.00    +0.145 C 
ATOM      6  C   LIG    1        1.258  -2.333   3.566  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.530  -2.062   2.766  0.00  0.00    +0.035 C 
ATOM      8  N   LIG    1       -1.143  -2.291   3.015  0.00  0.00    -0.298 NA
ATOM      9  H   LIG    1       -1.160  -2.666   3.963  0.00  0.00    +0.124 HD
ATOM     10  C   LIG    1       -2.135  -3.015   2.220  0.00  0.00    +0.082 C 
ATOM     11  C   LIG    1       -2.201  -2.590   0.753  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        2.051  -1.236   1.556  0.00  0.00    +0.164 C 
ATOM     13  C   LIG    1       -2.513  -1.111   0.538  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -1.910   2.343   1.724  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1       -2.059   1.243   0.901  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1       -2.082   1.456  -0.095  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -1.603   2.261   2.912  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -2.104   3.689   0.982  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -2.231   4.862   1.950  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -4.524   3.436   0.592  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -3.207   3.610  -0.017  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -3.216   4.478  -0.556  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  C   LIG    1        2.542  -1.829   0.206  0.00  0.00    +0.238 C 
ATOM     24  N   LIG    1        2.390  -0.945  -0.852  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1        1.844  -0.114  -0.628  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        2.978  -2.975   0.134  0.00  0.00    -0.273 OA
BRANCH  24  27
ATOM     27  C   LIG    1        2.782  -1.107  -2.209  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        2.450  -0.095  -3.170  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        2.870  -0.277  -4.517  0.00  0.00    -0.016 A 
ATOM     30  C   LIG    1        2.561   0.681  -5.502  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        1.834   1.824  -5.190  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        1.415   2.033  -3.886  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        3.593  -1.419  -4.882  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1        3.904  -2.395  -3.944  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        1.719   1.092  -2.893  0.00  0.00    +0.010 A 
ATOM     36  C   LIG    1        3.502  -2.237  -2.621  0.00  0.00    +0.024 A 
ENDBRANCH  24  27
ENDBRANCH  12  23
TORSDOF 5