REMARK  Name = BDB004578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.542   3.031   0.501  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        0.192   2.948   0.114  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.345   1.663  -0.064  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -1.700   1.591  -0.453  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -2.458   2.687  -0.610  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.860   3.860  -0.413  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        0.463   0.516   0.160  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        1.812   0.600   0.505  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1       -0.579   4.044  -0.072  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.328   1.874   0.701  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        1.553   5.491   0.561  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        2.016   6.372   0.732  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        0.574   5.478   0.288  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        2.246   4.332   0.740  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        3.422   4.371   1.088  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -2.295   0.331  -0.660  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.742  -0.200  -1.327  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.696   0.361  -1.063  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.159  -1.058  -1.306  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -4.343  -1.937  -0.228  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.758  -3.251  -0.447  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.988  -3.702  -1.745  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.802  -2.841  -2.825  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.387  -1.526  -2.609  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
BRANCH   8  25
ATOM     25  N   LIG    1        2.509  -0.579   0.776  0.00  0.00    -0.337 N 
ATOM     26  H   LIG    1        2.154  -1.359   0.222  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.976  -0.578   0.758  0.00  0.00    +0.175 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.551  -1.931   1.038  0.00  0.00    +0.124 A 
ATOM     29  N   LIG    1        4.299  -2.586   2.220  0.00  0.00    -0.347 N 
ATOM     30  H   LIG    1        3.715  -2.231   2.966  0.00  0.00    +0.167 HD
ATOM     31  C   LIG    1        4.945  -3.788   2.177  0.00  0.00    +0.104 A 
ATOM     32  C   LIG    1        5.565  -3.817   0.951  0.00  0.00    +0.130 A 
ATOM     33  N   LIG    1        5.310  -2.667   0.250  0.00  0.00    -0.239 NA
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 7