46
Energy =
C    -1.5959597    0.7676037   -1.3272830 
C    -2.2113475    0.2493514   -2.4548661 
C    -1.9314871    0.8145784   -3.7223556 
C    -1.0588375    1.8551665   -3.8668075 
C    -0.4292438    2.4248508   -2.7384509 
C    -0.7148608    1.8909414   -1.4435439 
C     0.4642005    3.5156622   -2.8699406 
C     1.0568311    4.0820112   -1.7732008 
C     0.7603240    3.5827060   -0.4894487 
C    -0.0997013    2.5260529   -0.3290464 
C    -3.1784279   -0.9086220   -2.3931272 
C    -1.8277237    0.1036202    0.0194983 
N    -0.5472409   -0.3806711    0.5630111 
C    -2.6041353    0.9033643    1.0448313 
C    -3.2736866    2.0231586    0.8128977 
C    -0.4690555   -1.4935336    1.3262058 
C     0.9184004   -1.9128318    1.7462754 
O    -1.4439886   -2.1430972    1.6723641 
C     1.0285033   -2.6882679    2.8994553 
C     2.2790450   -3.1147082    3.3122242 
C     3.4354779   -2.8189024    2.6084578 
C     3.2950668   -2.0624332    1.4590203 
C     2.0626805   -1.6023018    1.0171741 
N     2.3929633   -3.9233936    4.5514353 
O     3.5069909   -4.3013489    4.8719813 
O     1.3665737   -4.1537599    5.1661060 
N     4.5052251   -1.7384143    0.6668870 
O     4.3495055   -1.0827200   -0.3504806 
O     5.5751401   -2.1458092    1.0834708 
H    -2.4164466    0.3966492   -4.5952164 
H    -0.8446362    2.2602141   -4.8480545 
H     0.6683590    3.8977840   -3.8625533 
H     1.7381561    4.9145892   -1.8856746 
H     1.2034195    4.0467444    0.3819924 
H    -0.3441576    2.2083450    0.6728805 
H    -2.6948165   -1.8256926   -2.0500252 
H    -4.0076955   -0.7059527   -1.7132562 
H    -3.5991740   -1.1093180   -3.3769699 
H    -2.4067911   -0.8057780   -0.1279670 
H     0.2749244    0.1700829    0.3898894 
H    -2.6307157    0.4395599    2.0251526 
H    -3.8475332    2.5025360    1.5947781 
H    -3.2693545    2.5003935   -0.1588866 
H     0.1419036   -2.9548800    3.4537806 
H     4.4004262   -3.1672727    2.9385334 
H     2.0229075   -1.0362357    0.0988687 
