; Stick colour 2(0.700000, 0.700000, 0.700000) ; Model BS ; Definitions C = 100.000000, 40.000000(0.500000, 0.500000, 0.500000) H = 60.000000, 24.000000(1.000000, 1.000000, 1.000000) O = 93.333333, 38.666667(1.000000, 0.000000, 0.000000) ; Instances H115 : -12.401887 3.151691 78.724111 H116 : -62.695244 54.158961 -1.570560 H117 : 46.751031 55.092932 17.320812 H118 : -38.870859 -87.666815 -46.853280 C111 : -13.302356 23.327199 12.510346 O111 : 4.584892 -47.529255 -47.766387 ; Bonds C111, H115 C111, H116 C111, H117 C111, O111 H118, O111