REMARK  Name = BDB003087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.954  -0.601  -0.469  0.00  0.00    +0.130 C 
ATOM      2  C   LIG    1       -0.729   0.186   0.845  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.796   0.232   1.064  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1        1.164   1.622   0.583  0.00  0.00    +0.228 C 
ATOM      5  N   LIG    1        0.016   2.333   0.340  0.00  0.00    -0.239 N 
ATOM      6  O   LIG    1        2.296   2.083   0.558  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        1.304  -0.949   0.254  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1       -1.074   1.647   0.789  0.00  0.00    +0.228 C 
ATOM      9  O   LIG    1       -2.146   2.113   1.141  0.00  0.00    -0.275 OA
ATOM     10  N   LIG    1        0.450  -0.823  -0.926  0.00  0.00    -0.293 NA
ATOM     11  H   LIG    1        0.554  -1.645  -1.526  0.00  0.00    +0.124 HD
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.774  -1.135  -0.051  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.205  -2.035  -1.045  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1        4.561  -2.250  -1.308  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.524  -1.585  -0.555  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        5.129  -0.726   0.465  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.770  -0.517   0.722  0.00  0.00    +0.009 A 
BRANCH  13  18
ATOM     18  O   LIG    1        2.274  -2.749  -1.756  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        2.732  -3.206  -2.482  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
ENDBRANCH   7  12
BRANCH   5  20
ATOM     20  C   LIG    1        0.046   3.775   0.093  0.00  0.00    +0.078 C 
ATOM     21  C   LIG    1       -0.030   4.573   1.395  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -1.043   4.216  -0.886  0.00  0.00    +0.028 C 
ENDBRANCH   5  20
BRANCH   1  23
ATOM     23  C   LIG    1       -1.688   0.160  -1.604  0.00  0.00    +0.326 C 
ATOM     24  O   LIG    1       -1.327   0.288  -2.764  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.869   0.682  -1.228  0.00  0.00    -0.479 OA
ATOM     26  H   LIG    1       -3.204   1.133  -2.031  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   1  23
BRANCH   1  27
ATOM     27  C   LIG    1       -1.611  -2.001  -0.267  0.00  0.00    +0.037 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.593  -1.410   1.278  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -3.133  -2.097  -0.004  0.00  0.00    -0.015 C 
ATOM     30  C   LIG    1       -3.542  -3.576   0.049  0.00  0.00    +0.007 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 7