40

C         -0.23380       -6.27650       -6.23920
O         -0.19360       -7.08980       -5.06500
C         -0.46650       -6.47940       -3.88210
C         -0.44440       -7.21270       -2.70310
C         -0.72060       -6.59710       -1.50110
C         -1.02340       -5.23460       -1.47010
C         -1.05070       -4.50220       -2.65840
C         -0.76720       -5.12400       -3.85560
C         -1.32020       -4.57040       -0.18340
N         -1.60410       -5.16780        0.94640
N         -1.80880       -4.29290        1.86630
C         -1.66640       -3.09840        1.37140
N         -1.34860       -3.19510        0.04500
N         -1.15050       -2.06850       -0.68650
C         -1.29340       -0.77400        0.01030
H         -2.10330       -0.18290       -0.41730
S         -1.71220       -1.35190        1.70160
C          0.00210       -0.00410        0.00200
C         -0.01670        1.37840        0.00960
C          1.16950        2.08650        0.00210
C          2.38020        1.40930       -0.01320
C          2.39630        0.02210       -0.02030
C          1.20740       -0.68140       -0.01270
O          3.54840        2.10360       -0.02110
C          3.45560        3.52960       -0.01300
H          0.00230       -6.88600       -7.11160
H         -1.23090       -5.85100       -6.35250
H          0.49640       -5.47230       -6.14940
H         -0.21000       -8.26670       -2.72790
H         -0.70250       -7.16790       -0.58450
H         -1.28880       -3.44900       -2.63910
H         -0.78340       -4.55710       -4.77480
H         -1.69920       -2.08600       -1.53310
H         -0.95950        1.90520        0.01700
H          1.15430        3.16640        0.00770
H          3.33750       -0.50740       -0.03220
H          1.21940       -1.76130       -0.01790
H          4.45750        3.95890       -0.02070
H          2.91060        3.86320       -0.89610
H          2.92800        3.85430        0.88380