REMARK  Name = BDB058353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.855  -3.751   0.505  0.00  0.00    +0.116 A 
ATOM      2  C   LIG    1       -1.817  -2.418   0.163  0.00  0.00    +0.177 A 
ATOM      3  N   LIG    1       -0.742  -1.864   0.871  0.00  0.00    -0.199 N 
ATOM      4  C   LIG    1       -0.433  -0.485   0.741  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -1.236   0.266  -0.037  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -2.364  -0.392  -0.787  0.00  0.00    +0.127 A 
ATOM      7  N   LIG    1       -0.137  -2.812   1.653  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.604  -1.678  -0.668  0.00  0.00    -0.212 NA
ATOM      9  C   LIG    1       -0.812  -3.935   1.415  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -3.187   0.342  -1.629  0.00  0.00    -0.311 N 
ATOM     11  C   LIG    1       -3.040   1.759  -1.988  0.00  0.00    +0.085 C 
ATOM     12  C   LIG    1       -3.743   1.858  -3.353  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -4.834   0.806  -3.268  0.00  0.00    +0.021 C 
ATOM     14  C   LIG    1       -4.155  -0.325  -2.509  0.00  0.00    +0.107 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -3.701   2.640  -0.922  0.00  0.00    +0.142 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.367   4.086  -1.142  0.00  0.00    +0.306 C 
ATOM     17  O   LIG    1       -2.480   4.536  -1.846  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -4.158   4.905  -0.423  0.00  0.00    -0.481 OA
ATOM     19  H   LIG    1       -3.843   5.810  -0.634  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   6  10
BRANCH   1  21
ATOM     20  N   LIG    1       -3.505  -5.551  -0.337  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1       -2.775  -4.725   0.030  0.00  0.00    +0.104 C 
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  N   LIG    1        0.619   0.075   1.470  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        0.556   1.087   1.558  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        1.982  -0.309   1.418  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        2.869   0.294   2.326  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.229  -0.044   2.348  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        5.158   0.526   3.382  0.00  0.00    +0.046 C 
ATOM     28  C   LIG    1        6.586   0.587   2.864  0.00  0.00    +0.101 C 
ATOM     29  C   LIG    1        7.011  -0.710   2.215  0.00  0.00    +0.218 C 
ATOM     30  N   LIG    1        6.055  -1.373   1.493  0.00  0.00    -0.285 N 
ATOM     31  H   LIG    1        6.379  -2.171   0.961  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        8.173  -1.108   2.243  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1        4.705  -1.015   1.466  0.00  0.00    +0.037 A 
ATOM     34  C   LIG    1        3.838  -1.648   0.581  0.00  0.00    +0.025 A 
ATOM     35  C   LIG    1        2.485  -1.293   0.558  0.00  0.00    +0.025 A 
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 7