44

C          1.07990        1.30790        0.10630
O          0.83750       -0.10030        0.08780
C         -0.46000       -0.50260        0.03990
C         -1.47910        0.45250        0.00550
C         -2.78680        0.08020       -0.04240
C         -3.12570       -1.28420       -0.05750
C         -2.09200       -2.25040       -0.02440
C         -0.75420       -1.83760        0.02020
C         -2.44470       -3.61880       -0.04250
C         -3.79520       -3.95510       -0.08790
C         -4.75010       -2.95440       -0.11270
N         -4.39950       -1.67930       -0.10130
C         -6.22800       -3.25720       -0.14460
C         -6.47240       -4.69640       -0.59140
C         -5.61130       -5.62550        0.27220
C         -4.14770       -5.41890       -0.11230
S         -1.20460       -4.87010       -0.00920
C         -0.36780       -4.70140       -1.60980
H         -0.03510       -3.67150       -1.73900
C          0.84160       -5.63740       -1.65420
C          1.85370       -5.19960       -0.62710
O          1.63060       -4.23750        0.06900
O          3.00300       -5.87840       -0.48550
C         -1.32390       -5.06310       -2.71710
O         -1.18230       -4.57900       -3.82710
O         -2.23900       -5.83970       -2.50290
H          2.15370        1.49120        0.14490
H          0.66640        1.75960       -0.79540
H          0.60460        1.74690        0.98340
H         -1.22500        1.50210        0.01740
H         -3.56280        0.83100       -0.06840
H          0.03980       -2.56930        0.04240
H         -6.64550       -3.11460        0.85210
H         -6.71930       -2.57670       -0.84010
H         -7.52530       -4.94670       -0.46120
H         -6.19330       -4.80720       -1.63920
H         -5.75220       -5.38300        1.32550
H         -5.89550       -6.66230        0.09230
H         -3.98050       -5.81210       -1.11510
H         -3.51180       -5.95350        0.59330
H          0.52070       -6.65620       -1.43670
H          1.29200       -5.60230       -2.64610
H         -5.09590       -1.00450       -0.12530
H          3.58820       -5.52290        0.19740