REMARK  Name = BDB048147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.819  -0.568   0.580  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        1.591   0.239  -0.239  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        2.592  -0.288  -0.974  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1        2.861  -1.607  -0.857  0.00  0.00    +0.136 A 
ATOM      5  N   LIG    1        2.204  -2.431  -0.019  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1        1.199  -1.886   0.692  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.035  -2.170  -1.655  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        5.315  -1.998  -0.821  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1        4.197  -1.426  -2.995  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        3.828  -3.665  -1.965  0.00  0.00    +0.019 C 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     11  N   LIG    1       -1.591  -0.418   1.211  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1       -0.255  -0.038   1.423  0.00  0.00    +0.252 C 
ATOM     13  O   LIG    1        0.100   0.720   2.327  0.00  0.00    -0.270 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -2.544  -0.048   2.286  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1       -2.506  -1.093   3.439  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1       -3.686  -1.107   4.316  0.00  0.00    -0.314 NA
ATOM     17  H   LIG    1       -3.408  -1.419   5.247  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -4.310   0.207   4.394  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -4.876   0.616   3.033  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -3.991   0.204   1.848  0.00  0.00    +0.025 C 
ENDBRANCH  11  14
BRANCH  11  21
ATOM     21  C   LIG    1       -2.035  -1.329   0.136  0.00  0.00    +0.111 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.140  -1.696  -2.088  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -2.678  -0.636  -1.083  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -1.738   0.351  -1.772  0.00  0.00    +0.009 C 
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  12
BRANCH   2  25
ATOM     25  N   LIG    1        1.290   1.607  -0.378  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        1.145   2.011   0.550  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.269   2.384  -1.135  0.00  0.00    +0.177 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.906   3.828  -1.241  0.00  0.00    +0.122 A 
ATOM     29  O   LIG    1        2.899   4.735  -1.003  0.00  0.00    -0.466 OA
ATOM     30  C   LIG    1        2.353   5.969  -1.152  0.00  0.00    +0.195 A 
ATOM     31  C   LIG    1        1.021   5.871  -1.483  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        0.731   4.487  -1.542  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 8