REMARK  Name = BDB065365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.376  -0.133  -0.038  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1        0.157  -1.458  -0.015  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.112  -2.033  -0.734  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1        1.938  -1.048  -1.212  0.00  0.00    +0.102 A 
ATOM      5  C   LIG    1        1.474   0.177  -0.780  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.500   0.767   0.682  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -1.771   1.077  -0.107  0.00  0.00    +0.023 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.686   2.087   0.591  0.00  0.00    +0.002 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.212   1.671   1.971  0.00  0.00    +0.011 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.998   0.360   2.001  0.00  0.00    +0.120 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.302   0.428   1.239  0.00  0.00    +0.307 C 
ATOM     12  O   LIG    1       -5.868   1.456   0.895  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.766  -0.834   1.019  0.00  0.00    -0.465 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -7.390  -2.345   0.132  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -7.011  -0.888   0.311  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  16
ATOM     16  C   LIG    1        3.113  -1.385  -2.048  0.00  0.00    +0.183 C 
BRANCH  16  17
ATOM     17  N   LIG    1        4.335  -1.227  -1.288  0.00  0.00    -0.309 N 
ATOM     18  C   LIG    1        5.175  -0.149  -1.327  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1        6.200  -0.469  -0.451  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1        7.217   0.488  -0.296  0.00  0.00    +0.147 A 
ATOM     21  N   LIG    1        7.143   1.631  -1.017  0.00  0.00    -0.219 NA
ATOM     22  C   LIG    1        6.080   1.808  -1.831  0.00  0.00    +0.225 A 
ATOM     23  N   LIG    1        6.005  -1.722   0.098  0.00  0.00    -0.231 NA
ATOM     24  N   LIG    1        5.042   0.975  -2.050  0.00  0.00    -0.216 NA
ATOM     25  C   LIG    1        4.869  -2.143  -0.420  0.00  0.00    +0.202 A 
BRANCH  20  26
ATOM     26  N   LIG    1        8.307   0.310   0.545  0.00  0.00    -0.341 N 
ATOM     27  H   LIG    1        8.479  -0.661   0.781  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        9.098   0.877   0.271  0.00  0.00    +0.144 HD
ENDBRANCH  20  26
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11