REMARK  Name = BDB019674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.085   0.438   1.514  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.523  -0.825   1.514  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.884  -0.978   1.206  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.624   0.179   0.910  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.038   1.457   0.927  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -0.676   1.578   1.231  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.516  -2.309   1.190  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -1.940  -3.378   0.490  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -2.566  -4.623   0.492  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -1.957  -5.771  -0.255  0.00  0.00    +0.065 C 
ATOM     11  N   LIG    1       -3.725  -4.855   1.148  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1       -4.268  -3.821   1.823  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -3.713  -2.553   1.871  0.00  0.00    +0.028 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     14  N   LIG    1        2.232   1.577   1.298  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        1.805   2.112   0.555  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        1.536   0.518   1.843  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        2.060  -0.349   2.531  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1        3.670   1.667   1.423  0.00  0.00    +0.141 C 
BRANCH  18  23
ATOM     19  C   LIG    1        6.210  -0.614  -3.210  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        5.554   0.015  -2.018  0.00  0.00    +0.038 A 
ATOM     21  N   LIG    1        5.141  -0.810  -1.029  0.00  0.00    -0.260 NA
ATOM     22  C   LIG    1        4.553  -0.245   0.051  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1        4.352   1.122   0.203  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1        4.777   1.952  -0.836  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.388   1.395  -1.958  0.00  0.00    +0.023 A 
ENDBRANCH  18  23
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -2.871   2.677   0.604  0.00  0.00    +0.151 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.215   2.662  -0.806  0.00  0.00    -0.352 N 
ATOM     28  H   LIG    1       -2.446   2.376  -1.398  0.00  0.00    +0.163 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.946   3.666  -1.337  0.00  0.00    +0.188 C 
ATOM     30  N   LIG    1       -4.500   4.603  -0.662  0.00  0.00    -0.269 NA
ATOM     31  H   LIG    1       -4.979   5.247  -1.293  0.00  0.00    +0.190 HD
BRANCH  29  32
ATOM     32  N   LIG    1       -4.032   3.560  -2.677  0.00  0.00    -0.370 N 
ATOM     33  H   LIG    1       -4.108   2.597  -2.984  0.00  0.00    +0.159 HD
ATOM     34  H   LIG    1       -4.760   4.123  -3.097  0.00  0.00    +0.159 HD
ENDBRANCH  29  32
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8