REMARK  Name = BDB000048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.599  -1.501  -0.337  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.319  -1.090   0.090  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.704  -2.029  -0.081  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.991  -1.706   0.330  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.301  -0.466   0.897  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        1.288   0.495   1.044  0.00  0.00    +0.163 A 
ATOM      7  N   LIG    1        0.498  -3.231  -0.625  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -0.750  -3.509  -1.015  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -0.013   0.178   0.649  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.808  -2.704  -0.899  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.700  -0.622  -0.139  0.00  0.00    -0.299 N 
ATOM     12  H   LIG    1       -2.751  -0.390   0.848  0.00  0.00    +0.154 HD
BRANCH  11  15
ATOM     13  C   LIG    1       -6.344  -0.051  -0.622  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.064  -0.070  -0.056  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -3.990  -0.689  -0.716  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -4.223  -1.231  -1.986  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -5.500  -1.215  -2.555  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -6.562  -0.630  -1.871  0.00  0.00    +0.017 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -8.335   1.091   0.667  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -7.426   0.570   0.079  0.00  0.00    -0.070 C 
ENDBRANCH  13  20
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  O   LIG    1        1.664   1.694   1.590  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1        0.729   2.774   1.551  0.00  0.00    +0.257 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.411   4.045   2.068  0.00  0.00    +0.200 C 
BRANCH  23  24
ATOM     24  O   LIG    1        2.461   4.519   1.219  0.00  0.00    -0.380 OA
ATOM     25  C   LIG    1        2.000   5.135   0.026  0.00  0.00    +0.194 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
BRANCH   5  26
ATOM     26  O   LIG    1        3.549  -0.087   1.321  0.00  0.00    -0.486 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.636  -1.005   1.225  0.00  0.00    +0.257 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.297  -0.942  -0.152  0.00  0.00    +0.200 C 
BRANCH  28  29
ATOM     29  O   LIG    1        6.386  -1.859  -0.263  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        5.970  -3.174  -0.606  0.00  0.00    +0.194 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 11