REMARK  Name = BDB003801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.120  -1.230   0.134  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.919  -0.509   0.107  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -0.317  -1.150  -0.083  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.330  -2.540  -0.251  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.862  -3.266  -0.226  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.082  -2.614  -0.034  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.537  -0.360  -0.100  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1       -1.559   1.009   0.021  0.00  0.00    -0.129 NA
ATOM      9  N   LIG    1       -2.819   1.415  -0.035  0.00  0.00    -0.064 NA
ATOM     10  N   LIG    1       -3.586   0.322  -0.191  0.00  0.00    -0.239 N 
ATOM     11  C   LIG    1       -2.831  -0.815  -0.228  0.00  0.00    +0.139 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.038   0.439  -0.250  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -5.425   1.005  -1.608  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -5.129   0.419  -2.652  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.108   2.186  -1.692  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.148   2.360  -2.694  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.414   2.208  -1.286  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.325   2.220  -2.110  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.670   2.330   0.195  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -7.101   1.195   1.027  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -5.578   1.159   0.989  0.00  0.00    +0.037 C 
ENDBRANCH  10  12
ENDBRANCH   3   7
BRANCH   1  23
ATOM     22  C   LIG    1        4.589  -0.958   0.399  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        3.304  -0.499   0.330  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.231   0.503   0.435  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        4.976  -2.111   0.307  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        5.396   0.117   0.595  0.00  0.00    -0.444 OA
BRANCH  26  28
ATOM     27  C   LIG    1        7.207  -0.883   1.935  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.834  -0.041   0.710  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1        7.365   1.386   0.919  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.440  -0.603  -0.581  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5