REMARK  Name = BDB014591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.896  -0.141   2.137  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        2.703  -0.705   1.060  0.00  0.00    +0.230 C 
ATOM      3  N   LIG    1        1.472  -0.728   0.441  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        1.412  -0.992  -0.537  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.823  -1.452   0.295  0.00  0.00    +0.145 C 
ATOM      6  N   LIG    1        4.848  -1.887   1.282  0.00  0.00    -0.301 NA
ATOM      7  H   LIG    1        4.763  -1.250   2.084  0.00  0.00    +0.123 HD
ATOM      8  C   LIG    1        6.213  -1.769   0.772  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        6.495  -0.383   0.255  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        5.532   0.217  -0.573  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        5.767   1.483  -1.115  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.952   2.157  -0.818  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.907   1.564   0.008  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.684   0.294   0.541  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.292  -0.578  -0.892  0.00  0.00    +0.063 C 
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1        0.364   0.068   0.939  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.959  -0.404   0.330  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.865  -0.332  -1.105  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.797  -0.271  -1.405  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.137   0.473   0.802  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.374   0.160   0.050  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.349   1.261   0.221  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.705   0.974  -0.388  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.117  -0.345  -0.643  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.390  -0.587  -1.178  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -8.259   0.473  -1.434  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.862   1.780  -1.164  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.167  -1.488  -0.401  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.593   2.031  -0.641  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.992  -1.099   0.508  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6