REMARK  Name = BDB045624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.917   0.058   1.469  0.00  0.00    +0.238 C 
ATOM      2  N   LIG    1       -3.305   0.039   1.570  0.00  0.00    -0.183 N 
ATOM      3  O   LIG    1       -1.299   1.048   1.078  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   4
ATOM      4  O   LIG    1       -3.893  -1.249   1.566  0.00  0.00    -0.292 OA
ATOM      5  H   LIG    1       -4.243  -1.307   2.475  0.00  0.00    +0.242 HD
ENDBRANCH   2   4
BRANCH   1   6
ATOM      6  C   LIG    1       -1.216  -1.211   1.941  0.00  0.00    +0.098 C 
BRANCH   6   7
ATOM      7  C   LIG    1        0.310  -1.117   1.902  0.00  0.00    +0.010 C 
BRANCH   7   8
ATOM      8  C   LIG    1        0.871  -1.244   0.480  0.00  0.00    +0.016 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.405  -1.147   0.487  0.00  0.00    +0.084 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.068  -1.175  -0.826  0.00  0.00    -0.305 NA
ATOM     11  C   LIG    1        2.815  -2.424  -1.543  0.00  0.00    +0.104 C 
BRANCH  10  12
ATOM     12  C   LIG    1        2.757   0.006  -1.644  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1        4.826  -0.169  -3.163  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        4.023   0.680  -2.191  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1       -4.107   0.988   0.799  0.00  0.00    +0.151 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.139   2.364   1.451  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.019   3.290   0.665  0.00  0.00    +0.306 C 
ATOM     18  O   LIG    1       -5.664   3.027  -0.334  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -5.054   4.527   1.199  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1       -5.640   5.035   0.599  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 12