REMARK  Name = BDB056547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.540  -0.204   1.864  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.388  -0.273   1.108  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.444   0.163   0.185  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.801  -1.008   2.754  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.733  -0.064  -2.064  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -2.788   0.361  -0.971  0.00  0.00    +0.213 C 
ATOM      7  N   LIG    1       -3.316   0.509   0.290  0.00  0.00    -0.288 N 
ATOM      8  C   LIG    1       -2.491   0.934   1.433  0.00  0.00    +0.164 C 
ATOM      9  C   LIG    1       -3.501   1.286   2.538  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -4.815   1.488   1.796  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1       -4.731   0.492   0.644  0.00  0.00    +0.140 C 
ATOM     12  O   LIG    1       -1.596   0.562  -1.203  0.00  0.00    -0.276 OA
BRANCH  10  13
ATOM     13  O   LIG    1       -4.891   2.825   1.298  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -4.192   2.940   0.629  0.00  0.00    +0.210 HD
ENDBRANCH  10  13
ENDBRANCH   1   8
BRANCH   2  15
ATOM     15  C   LIG    1        0.505  -1.397   1.240  0.00  0.00    +0.139 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.784  -1.159   0.482  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        1.827  -1.318  -0.908  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        3.009  -1.076  -1.617  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        4.175  -0.666  -0.955  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1        4.122  -0.499   0.437  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        2.940  -0.738   1.147  0.00  0.00    +0.006 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.401  -0.417  -1.701  0.00  0.00    +0.155 A 
ATOM     23  O   LIG    1        6.509  -0.032  -0.986  0.00  0.00    -0.442 OA
ATOM     24  C   LIG    1        7.477   0.123  -1.929  0.00  0.00    +0.308 A 
ATOM     25  N   LIG    1        7.102  -0.122  -3.163  0.00  0.00    -0.224 NA
ATOM     26  C   LIG    1        5.780  -0.467  -3.027  0.00  0.00    +0.160 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5