45

C          1.18410        2.07750        0.00190
C          2.36500        1.34960       -0.01330
C          2.30950       -0.03250       -0.02020
N          1.15300       -0.66270       -0.01250
C          0.00210       -0.00410        0.00200
C         -0.01680        1.38830        0.00970
C         -1.27730       -0.75760        0.01070
N         -1.41650       -2.10250        0.00480
C         -2.70760       -2.32250        0.01650
O         -3.30990       -1.12920        0.02890
N         -2.47960       -0.24500        0.03110
C         -3.38650       -3.66790        0.01670
H         -2.66610       -4.46080        0.21800
C         -4.11390       -3.91360       -1.32900
C         -5.20570       -4.94030       -0.94940
H         -6.13390       -4.71750       -1.47560
C         -5.40010       -4.77760        0.56950
C         -3.97600       -3.96140        2.36080
C         -5.07510       -3.74300        3.36830
C         -5.25160       -2.49310        3.93490
C         -6.25940       -2.28480        4.85360
C         -7.09510       -3.34180        5.21990
C         -6.90770       -4.60190        4.64850
C         -5.89960       -4.79480        3.72680
C         -8.17290       -3.12760        6.20720
O         -8.89850       -4.04890        6.52360
O         -4.76740       -6.26580       -1.25410
H          1.20110        3.15740        0.00750
H          3.31840        1.85700       -0.01930
H          3.22670       -0.60250       -0.03230
H         -0.95500        1.92320        0.01700
H         -4.56310       -2.99180       -1.69860
H         -3.42960       -4.33320       -2.06640
H         -5.14630       -5.70770        1.07810
H         -6.43270       -4.50510        0.78760
H         -3.62660       -4.99210        2.42190
H         -3.14870       -3.28410        2.57300
H         -4.60180       -1.67750        3.65390
H         -6.39890       -1.30760        5.29180
H         -7.55080       -5.42360        4.92720
H         -5.75340       -5.76910        3.28430
H         -5.39420       -6.95600       -0.99740
N         -4.49090       -3.70230        0.98250
H         -4.98790       -2.80390        0.97220
O         -8.35090       -1.91060        6.75660