46
Energy =
C    -1.3538529    1.4644548   -1.0134647 
C    -2.0843153    1.1792239   -2.1557706 
C    -1.6265529    1.6587085   -3.4076001 
C    -0.4719610    2.3780511   -3.5232095 
C     0.2964169    2.6899275   -2.3799374 
C    -0.1581004    2.2456373   -1.0998445 
C     1.4979046    3.4315555   -2.4828420 
C     2.2374245    3.7404985   -1.3724785 
C     1.7856455    3.3300012   -0.1029704 
C     0.6248885    2.6106066    0.0286098 
C    -3.3527338    0.3586027   -2.1322314 
C    -1.8052352    0.8824463    0.3264397 
N    -0.8287149   -0.0716843    0.8494195 
C    -2.2091120    1.9188451    1.3484391 
C    -2.0143916    1.8490237    2.6581925 
C    -0.9158567   -1.4008826    0.6045251 
C     0.2691144   -2.2320076    1.0313370 
O    -1.8831528   -1.9342354    0.0843162 
C     0.0386867   -3.5827277    1.2895622 
C     1.0991070   -4.3932284    1.6558172 
C     2.3973554   -3.9190902    1.7588776 
C     2.5993959   -2.5787906    1.4839080 
C     1.5633904   -1.7284052    1.1231569 
N     0.8450164   -5.8265499    1.9454744 
O     1.8068387   -6.5161017    2.2393841 
O    -0.3062217   -6.2173440    1.8710432 
N     3.9739110   -2.0317870    1.5744301 
O     4.1144298   -0.8359010    1.3756891 
O     4.8718743   -2.8094580    1.8448845 
H    -2.2067425    1.4305996   -4.2926825 
H    -0.1315576    2.7180734   -4.4935109 
H     1.8232435    3.7520243   -3.4650223 
H     3.1558739    4.3048531   -1.4635017 
H     2.3537142    3.5940067    0.7793960 
H     0.2849968    2.3654148    1.0232341 
H    -3.1821074   -0.6315527   -1.7061914 
H    -4.1348121    0.8397556   -1.5406647 
H    -3.7418887    0.2286536   -3.1405485 
H    -2.6914393    0.2816421    0.1383774 
H     0.0131302    0.2993285    1.2529032 
H    -2.7365277    2.7669155    0.9254825 
H    -2.3731765    2.6273508    3.3174777 
H    -1.4998877    1.0153129    3.1192224 
H    -0.9581483   -3.9847351    1.1933824 
H     3.2129307   -4.5667331    2.0365881 
H     1.8011998   -0.7004085    0.8929264 
