42
E = -960.142592719
O         -3.24488       -1.77688       -1.23521
C         -2.30346       -1.24128       -0.70204
O         -1.15377       -1.07777       -1.44447
C         -2.29717       -0.67803        0.70359
C          0.08171       -0.61512       -0.91562
H         -1.82075       -1.45171        1.32959
C         -3.71858       -0.44642        1.21142
C         -1.39216        0.56631        0.77232
H          0.47056        0.04100       -1.71203
O          0.89234       -1.77392       -0.81152
C          0.05273        0.15280        0.44177
H         -4.26297        0.27303        0.58524
H         -4.28745       -1.38349        1.19957
H         -3.69129       -0.06444        2.24201
H         -1.38411        0.93385        1.81305
C         -1.85893        1.70504       -0.14854
C          2.04582       -1.54470       -0.02218
O          0.35691       -0.75624        1.51251
C          1.00303        1.37512        0.46992
H         -1.99059        1.32278       -1.17418
H         -2.85138        2.04257        0.18395
C         -0.88882        2.88202       -0.16700
O          1.66476       -1.45919        1.36464
C          2.89851       -2.79676       -0.09968
C          2.81664       -0.26804       -0.45544
H          0.85313        1.81061        1.47468
C          0.54825        2.47358       -0.51918
C          2.48827        0.95733        0.39794
H         -0.87367        3.36599        0.82664
H         -1.24380        3.64419       -0.87838
H          3.35684       -2.86456       -1.09557
H          2.27313       -3.67915        0.07868
H          3.69439       -2.75301        0.65532
H          2.64458       -0.09621       -1.52961
H          3.89218       -0.47432       -0.35113
H          0.54988        2.07067       -1.54912
C          1.45501        3.70637       -0.49799
H          2.82257        0.73453        1.42026
H          3.09701        1.80496        0.05545
H          1.02142        4.50572       -1.11654
H          2.46106        3.50245       -0.88748
H          1.56111        4.09710        0.52651
