REMARK  Name = BDB007863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.080   1.171   0.439  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1        2.368   0.770   0.271  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        3.381   1.674   0.289  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        3.107   3.042   0.502  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        4.140   3.994   0.514  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        5.458   3.608   0.312  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        5.751   2.267   0.102  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.780   3.433   0.709  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        4.733   1.294   0.091  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        0.754   2.492   0.683  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -4.028  -0.398   0.132  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1       -3.091  -1.418   0.321  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -1.723  -1.108   0.370  0.00  0.00    +0.093 A 
ATOM     14  N   LIG    1       -0.666  -1.966   0.492  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        0.394  -1.195   0.453  0.00  0.00    +0.206 A 
ATOM     16  N   LIG    1        0.085   0.149   0.384  0.00  0.00    -0.283 N 
ATOM     17  C   LIG    1       -1.300   0.221   0.261  0.00  0.00    +0.075 A 
ATOM     18  C   LIG    1       -2.229   1.249   0.027  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -3.593   0.917  -0.025  0.00  0.00    +0.048 A 
BRANCH  11  20
ATOM     20  O   LIG    1       -5.328  -0.823   0.098  0.00  0.00    -0.491 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -6.345   0.173  -0.019  0.00  0.00    +0.240 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -7.965  -1.271   1.325  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -7.707  -0.522   0.026  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1       -8.859   0.401  -0.411  0.00  0.00    +0.172 C 
ATOM     25  O   LIG    1       -8.881  -0.197  -1.731  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1       -8.050  -1.291  -1.263  0.00  0.00    +0.172 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   1  16
BRANCH   9  27
ATOM     27  N   LIG    1        5.170  -0.045  -0.122  0.00  0.00    -0.328 N 
ATOM     28  C   LIG    1        4.737  -0.572  -1.430  0.00  0.00    +0.106 C 
ATOM     29  C   LIG    1        4.794  -2.104  -1.461  0.00  0.00    +0.037 C 
ATOM     30  C   LIG    1        5.886  -2.683  -0.556  0.00  0.00    +0.054 C 
ATOM     31  C   LIG    1        5.721  -2.198   0.895  0.00  0.00    +0.037 C 
ATOM     32  C   LIG    1        4.874  -0.926   1.014  0.00  0.00    +0.106 C 
BRANCH  30  33
ATOM     33  N   LIG    1        7.228  -2.345  -1.054  0.00  0.00    -0.327 NA
ATOM     34  H   LIG    1        7.357  -1.335  -0.952  0.00  0.00    +0.118 HD
ATOM     35  H   LIG    1        7.288  -2.539  -2.052  0.00  0.00    +0.118 HD
ENDBRANCH  30  33
ENDBRANCH   9  27
TORSDOF 6