REMARK  Name = BDB048373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.353   4.960   2.924  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.536   3.841   2.446  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.067   3.052   1.403  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.002   2.022   0.911  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.299   1.027   0.060  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.745  -0.197  -0.509  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.236  -0.761  -1.224  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1        1.293   0.064  -1.099  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1        1.008   1.164  -0.352  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        1.900   2.286   0.019  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        1.030   3.467   0.499  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.628   3.647   2.981  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -2.003  -0.661  -0.312  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.603  -0.129   0.304  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.662  -1.825  -0.774  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -3.993  -2.047  -0.373  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.713  -3.179  -0.787  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1       -6.140  -3.368  -0.365  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.099  -4.097  -1.641  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -2.784  -3.895  -2.051  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.075  -2.770  -1.619  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1        2.547  -0.281  -1.756  0.00  0.00    +0.180 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.603  -0.711  -0.777  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1        3.378  -1.753   0.119  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        4.296  -2.197   1.008  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.497  -1.584   1.004  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        5.827  -0.546   0.149  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.865  -0.108  -0.757  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4