REMARK  Name = BDB060451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.379  -0.661  -1.318  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1       -0.505  -2.095  -0.769  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.083  -1.968   0.631  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.137  -0.890   0.423  0.00  0.00    +0.189 C 
ATOM      5  O   LIG    1        0.518   0.071  -0.458  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -4.824   1.153  -0.570  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1       -3.582   0.990  -1.206  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -3.027   1.576  -2.324  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.831   1.037  -2.425  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1       -1.598   0.107  -1.441  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1       -2.703   0.082  -0.636  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1       -2.912  -0.661   0.463  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1       -4.125  -0.409   0.995  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -5.074   0.444   0.553  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -5.805   2.024  -1.029  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1       -5.442   2.751  -1.636  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -6.443   2.299  -0.295  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        0.328  -3.014  -1.514  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -0.127  -3.207  -2.354  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.628  -3.194   1.098  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.993  -3.637   0.303  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        1.565  -0.216   1.726  0.00  0.00    +0.266 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.565   0.792   1.469  0.00  0.00    -0.462 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.830   0.332   1.274  0.00  0.00    +0.318 C 
ATOM     25  O   LIG    1        4.187  -0.832   1.399  0.00  0.00    -0.250 OA
BRANCH  24  26
ATOM     26  C   LIG    1        4.742   1.450   0.882  0.00  0.00    +0.240 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.750   1.690  -0.594  0.00  0.00    +0.316 C 
ATOM     28  O   LIG    1        4.080   1.086  -1.417  0.00  0.00    -0.250 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.599   2.683  -0.958  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1        6.087   3.096  -0.220  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10