40
Energy =
C    -2.2686114   -0.4207012   -0.8447671 
C    -2.9774320   -0.4743885    0.3558190 
C    -3.6745907   -1.6169981    0.7176078 
C    -3.6847624   -2.7464481   -0.1055689 
C    -2.9790453   -2.6854530   -1.3056166 
C    -2.2796674   -1.5399157   -1.6725123 
C    -4.4221035   -3.9920603    0.3080586 
C    -1.4665274    0.8241429   -1.1913024 
N    -0.1367945    0.7276063   -0.5913487 
C    -1.4256952    1.1060248   -2.6728859 
C    -0.3382657    1.2992051   -3.4048614 
C     0.4340172    1.7499617    0.0918770 
O    -0.0972006    2.8361034    0.2504518 
C     1.8012151    1.4842779    0.6746075 
C     2.5920263    2.5972712    0.9585256 
C     3.8461731    2.4140287    1.5139486 
C     4.3487754    1.1591950    1.8196834 
C     3.5378814    0.0737597    1.5413052 
C     2.2779741    0.2119793    0.9753756 
N     4.0306159   -1.2858643    1.8654102 
O     5.1368772   -1.3784961    2.3668365 
O     3.2951170   -2.2245929    1.6053638 
N     4.6885806    3.6021485    1.8009978 
O     5.7793542    3.4040169    2.3085634 
O     4.2344748    4.6941576    1.5099019 
H    -2.9818022    0.3892367    1.0100723 
H    -4.2239460   -1.6332587    1.6513282 
H    -2.9794261   -3.5425045   -1.9680243 
H    -1.7485713   -1.5157731   -2.6157785 
H    -5.3956284   -3.7529331    0.7385266 
H    -4.5803475   -4.6634977   -0.5355412 
H    -3.8603267   -4.5423739    1.0670122 
H    -1.9366306    1.6828149   -0.7079322 
H     0.3807611   -0.1174363   -0.7624013 
H    -2.4053045    1.1527353   -3.1370570 
H    -0.4060877    1.5097776   -4.4631988 
H     0.6539723    1.2683771   -2.9734429 
H     2.2172023    3.5877100    0.7511974 
H     5.3247068    1.0354067    2.2594292 
H     1.6890422   -0.6772415    0.8103399 
