REMARK  Name = BDB003139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024  -0.847  -0.192  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -1.200  -0.224   0.183  0.00  0.00    +0.100 A 
ATOM      3  N   LIG    1       -2.170  -1.132   0.346  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -1.615  -2.327   0.025  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.276  -2.187  -0.274  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.486   1.192   0.405  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -2.181   1.592   1.549  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.450   2.952   1.744  0.00  0.00    +0.168 A 
ATOM      9  C   LIG    1       -2.049   3.939   0.834  0.00  0.00    +0.150 A 
ATOM     10  C   LIG    1       -1.366   3.523  -0.312  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -1.092   2.163  -0.526  0.00  0.00    +0.014 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -3.165   3.326   2.946  0.00  0.00    +0.060 N 
ATOM     13  O   LIG    1       -2.589   3.119   4.023  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -4.311   3.778   2.812  0.00  0.00    -0.126 OA
ENDBRANCH   8  12
BRANCH   9  15
ATOM     15  O   LIG    1       -2.325   5.240   1.145  0.00  0.00    -0.493 OA
ATOM     16  C   LIG    1       -2.101   6.222   0.140  0.00  0.00    +0.277 C 
ENDBRANCH   9  15
ENDBRANCH   2   6
BRANCH   4  17
ATOM     17  C   LIG    1       -2.391  -3.520   0.044  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1       -1.835  -4.757  -0.316  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -2.622  -5.912  -0.287  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.961  -5.843   0.096  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.520  -4.618   0.450  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.741  -3.459   0.424  0.00  0.00    +0.028 A 
ENDBRANCH   4  17
BRANCH   1  24
ATOM     23  C   LIG    1        2.324  -0.632  -1.163  0.00  0.00    +0.114 C 
ATOM     24  C   LIG    1        1.306  -0.238  -0.373  0.00  0.00    +0.035 C 
BRANCH  23  27
ATOM     25  N   LIG    1        4.094   0.473   0.051  0.00  0.00    -0.307 N 
ATOM     26  H   LIG    1        3.733   0.002   0.870  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        3.551   0.209  -1.188  0.00  0.00    +0.255 C 
ATOM     28  O   LIG    1        4.022   0.603  -2.248  0.00  0.00    -0.269 OA
BRANCH  25  29
ATOM     29  C   LIG    1        5.360   1.151   0.187  0.00  0.00    +0.131 C 
BRANCH  29  31
ATOM     30  C   LIG    1        7.304  -0.318  -0.396  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        6.396   0.115   0.489  0.00  0.00    -0.016 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  23  27
BRANCH  23  32
ATOM     32  C   LIG    1        2.279  -1.736  -2.055  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        2.218  -2.669  -2.745  0.00  0.00    -0.191 NA
ENDBRANCH  23  32
ENDBRANCH   1  24
TORSDOF 9