42

C         -0.01840        1.50280        0.01030
C          0.00210       -0.00410        0.00200
C          0.00570       -0.68870       -1.19890
C          0.02450       -2.07090       -1.20650
C          0.04000       -2.76850       -0.01320
C          0.03730       -2.08390        1.18770
C          0.02290       -0.70160        1.19530
S          0.06280       -4.53030       -0.02290
O         -0.47590       -4.95030        1.22320
O         -0.48970       -4.93670       -1.26740
N          1.65090       -4.99940       -0.03430
C          2.44280       -4.72300        1.02070
O          1.99110       -4.12920        1.98080
N          3.73530       -5.10480        1.01150
N          4.24270       -5.77190       -0.06710
C          4.55520       -7.17320        0.27660
C          4.39220       -8.00740       -0.96930
C          5.73100       -8.20000       -1.70180
C          6.56980       -6.90650       -1.71960
C          5.73710       -5.67930       -1.99000
C          5.29890       -5.06120       -0.64430
H          1.00420        1.88010        0.00260
H         -0.54550        1.86390       -0.87280
H         -0.52860        1.85430        0.90710
H         -0.00640       -0.14360       -2.13120
H          0.02660       -2.60570       -2.14480
H          0.04910       -2.62890        2.12000
H          0.02450       -0.16670        2.13350
H          4.30520       -4.90590        1.77080
H          5.58200       -7.24420        0.63550
H          3.86980       -7.52500        1.04760
H          3.99360       -8.98390       -0.69400
H          3.68820       -7.51320       -1.63880
H          6.29920       -8.98420       -1.20160
H          5.53240       -8.50800       -2.72830
H          7.06200       -6.79250       -0.75370
H          7.33270       -6.99200       -2.49340
H          6.32790       -4.95370       -2.54920
H          4.85570       -5.95680       -2.56800
H          4.98420       -4.03120       -0.81210
H          6.14630       -5.06520        0.04130
H          2.01120       -5.47310       -0.80020