REMARK  Name = BDB002440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.145   0.427  -1.417  0.00  0.00    -0.288 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.128  -0.279  -2.273  0.00  0.00    +0.125 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -3.546   0.328   2.479  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -4.358  -0.603   1.617  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -3.970  -0.949   0.308  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -4.765  -1.837  -0.444  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1       -4.351  -2.179  -1.742  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1       -4.899  -2.815  -2.302  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.214  -1.713  -2.338  0.00  0.00    +0.254 A 
ATOM     10  C   LIG    1       -2.368  -0.766  -1.557  0.00  0.00    +0.031 A 
ATOM     11  O   LIG    1       -2.903  -2.065  -3.474  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -5.949  -2.379   0.085  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1       -6.817  -3.326  -0.695  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -6.323  -2.022   1.386  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.752  -0.416  -0.317  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.539  -1.149   2.141  0.00  0.00    +0.004 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.733   1.278  -2.249  0.00  0.00    +0.116 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.421   2.435  -1.505  0.00  0.00    +0.132 C 
ATOM     19  O   LIG    1        2.201   3.213  -2.439  0.00  0.00    -0.375 OA
ATOM     20  C   LIG    1        2.026   4.604  -2.123  0.00  0.00    +0.160 C 
ATOM     21  C   LIG    1        1.293   4.668  -0.800  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1        0.462   3.411  -0.843  0.00  0.00    +0.035 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   1  23
ATOM     23  C   LIG    1        0.621  -0.554  -0.613  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.124   0.011   0.672  0.00  0.00    +0.166 A 
ATOM     25  N   LIG    1        2.438   0.041   1.075  0.00  0.00    -0.225 N 
ATOM     26  N   LIG    1        2.511   0.571   2.308  0.00  0.00    -0.044 NA
ATOM     27  N   LIG    1        1.267   0.867   2.644  0.00  0.00    -0.023 NA
ATOM     28  N   LIG    1        0.395   0.522   1.647  0.00  0.00    -0.112 NA
BRANCH  25  29
ATOM     29  C   LIG    1        3.629  -0.392   0.360  0.00  0.00    +0.111 C 
ATOM     30  C   LIG    1        3.908  -1.887   0.576  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1        4.606  -2.178   1.901  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        5.890  -1.369   2.042  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        5.630   0.127   1.907  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1        4.881   0.470   0.618  0.00  0.00    +0.027 C 
ENDBRANCH  25  29
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7