REMARK  Name = BDB062358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.011   0.574   0.754  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1       -0.289   1.858   0.308  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.127   2.459  -0.949  0.00  0.00    +0.132 C 
ATOM      4  O   LIG    1       -0.610   0.140   1.739  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.062  -0.346   0.025  0.00  0.00    +0.072 C 
ATOM      6  C   LIG    1        1.152  -1.676   0.858  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.890  -2.807   0.148  0.00  0.00    +0.001 C 
ATOM      8  C   LIG    1        1.184  -3.162  -1.150  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1        1.083  -1.950  -2.060  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1        0.471  -0.723  -1.371  0.00  0.00    +0.021 C 
BRANCH   5  14
ATOM     11  C   LIG    1        5.005   1.569   0.198  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        4.502   1.132  -1.023  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.241   0.520  -1.095  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.452   0.325   0.049  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1        2.979   0.782   1.273  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        4.235   1.393   1.344  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.048   2.347  -0.733  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.211   2.179   0.404  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   5  14
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.347   2.589   1.021  0.00  0.00    +0.203 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.737   2.208   0.491  0.00  0.00    +0.235 C 
ATOM     21  N   LIG    1       -3.117   0.939   0.889  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1       -2.417   0.426   1.428  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -3.370   2.975  -0.228  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.293   0.236   0.564  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -4.415  -1.108   0.986  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -5.566  -1.826   0.675  0.00  0.00    +0.068 A 
ATOM     27  N   LIG    1       -5.377  -3.073   1.212  0.00  0.00    -0.277 N 
ATOM     28  H   LIG    1       -6.014  -3.861   1.182  0.00  0.00    +0.189 HD
ATOM     29  N   LIG    1       -4.199  -3.230   1.838  0.00  0.00    -0.181 NA
ATOM     30  C   LIG    1       -6.633  -1.283  -0.043  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -6.505   0.045  -0.454  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.618  -2.035   1.703  0.00  0.00    +0.144 A 
ATOM     33  C   LIG    1       -5.359   0.791  -0.158  0.00  0.00    +0.024 A 
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 6