40
Energy =
C    -2.2647905   -0.2406086   -0.7644790 
C    -2.4000842   -1.3803174   -1.5552478 
C    -3.0129081   -2.5215582   -1.0521893 
C    -3.5080699   -2.5592689    0.2515008 
C    -3.3680470   -1.4146842    1.0376184 
C    -2.7579886   -0.2709957    0.5399307 
C    -4.1981114   -3.7878480    0.7808044 
C    -1.5334443    1.0020166   -1.2581854 
N    -0.1272660    0.9636708   -0.8502118 
C    -1.6838785    1.2321392   -2.7377976 
C    -0.7190253    1.5120240   -3.6037911 
C     0.2874477    1.4870306    0.3317906 
O    -0.4376907    2.1148779    1.0859838 
C     1.7362132    1.2607609    0.6879098 
C     2.7311815    1.0259031   -0.2566877 
C     4.0427456    0.8573279    0.1656335 
C     4.4042582    0.9086189    1.5000326 
C     3.3935507    1.1481746    2.4174137 
C     2.0753982    1.3345372    2.0386412 
N     3.7471834    1.2096966    3.8580723 
O     4.9202334    1.0566689    4.1527176 
O     2.8417995    1.4075765    4.6488875 
N     5.0976993    0.6198999   -0.8484728 
O     6.2374671    0.4646436   -0.4484005 
O     4.7531244    0.5931182   -2.0194202 
H    -2.0279877   -1.3785575   -2.5722412 
H    -3.1088115   -3.3968654   -1.6832909 
H    -3.7406195   -1.4186084    2.0547295 
H    -2.6443650    0.6025199    1.1688117 
H    -3.7266754   -4.6989405    0.4103680 
H    -4.1834518   -3.8150545    1.8703562 
H    -5.2445267   -3.8118894    0.4657140 
H    -1.9591449    1.8617003   -0.7378167 
H     0.4496705    0.2752839   -1.3056455 
H    -2.7091049    1.1613540   -3.0848573 
H    -0.9417637    1.6779674   -4.6488306 
H     0.3181391    1.6043736   -3.3087982 
H     2.5227226    0.9977159   -1.3153071 
H     5.4267148    0.7733989    1.8121304 
H     1.3122063    1.5421976    2.7726247 
