REMARK  Name = BDB035860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.755   1.335  -1.651  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.300   1.878  -2.518  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.679   1.742  -1.848  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        1.917   0.355  -1.300  0.00  0.00    -0.040 C 
ATOM      5  C   LIG    1        0.875  -0.480  -1.127  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -0.549  -0.109  -1.442  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.298  -0.037  -0.957  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        3.807  -1.299  -1.241  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        5.072  -1.705  -0.965  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1        5.900  -0.829  -0.361  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        5.497   0.461  -0.060  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        4.188   0.855  -0.360  0.00  0.00    +0.013 A 
BRANCH  10  13
ATOM     13  N   LIG    1        7.165  -1.357  -0.133  0.00  0.00    -0.270 N 
ATOM     14  H   LIG    1        7.277  -2.272  -0.551  0.00  0.00    +0.156 HD
ATOM     15  C   LIG    1        8.277  -0.933   0.533  0.00  0.00    +0.221 C 
ATOM     16  O   LIG    1        9.319  -1.581   0.464  0.00  0.00    -0.275 OA
BRANCH  15  17
ATOM     17  C   LIG    1        8.247   0.290   1.372  0.00  0.00    +0.075 C 
ATOM     18  C   LIG    1        8.948   0.275   2.717  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.454   0.332   2.661  0.00  0.00    +0.013 C 
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.084   1.617  -2.212  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -7.294  -0.224   1.242  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -7.325  -0.943  -0.075  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -8.226  -1.721  -0.368  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -6.297  -0.693  -0.948  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -6.335  -1.189  -1.827  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -5.253   0.195  -0.668  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -5.227   0.876   0.548  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -4.262   1.751   0.897  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -3.277   1.948  -0.011  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -3.211   1.318  -1.255  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -4.233   0.420  -1.585  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -6.298   0.641   1.509  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -8.264  -1.810   2.932  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.424  -0.487   2.198  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 6