* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/31/01/an8809.mol" Structure: 1 InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1 AuxInfo=1/0/N:22,35,38,11,41,26,32,3,18,29,14,44,16,6,1,9,31,15,21,8/it:im/rA:44nCHCHHCHOCHCHHCCCHCHHOCHHHCHHCHCCHHCHHCHHCHHC/rB:s1;;s3;s3;s1s3;s6;;s1;s9;s1;s11;s11;;s9;s6s14;s16;s3s15;s18;s18;;s15;s22;s22;s22;s9;s26;s26;d14;s29;d8s15;s26s31;s32;s32;s11s14;s35;s35;;s38;s38;s16s38;s41;s41;d21s29s38;/rC:2.7863,.0958,22.7302;1.9798,.4523,22.3026;2.7819,1.9757,24.4339;3.3449,2.6508,24.8428;2.025,2.4287,24.0304;3.5833,1.261,23.3276;4.3665,.8659,23.7639;1.0202,-1.2602,27.0084;2.3714,-.8208,23.8623;3.1983,-1.0687,24.3258;3.6103,-.6317,21.6854;4.384,-1.0373,22.1074;3.0787,-1.3399,21.2897;4.8325,1.4904,21.1945;1.4963,-.1078,24.9043;4.123,2.2477,22.2773;3.3551,2.7007,21.87;2.2693,1.0317,25.5236;3.0182,.68,26.0298;1.6954,1.5202,26.1353;8.0089,3.0927,21.1103;.1276,.338,24.3574;-.3981,.7042,25.0723;-.3281,-.4185,23.9802;.2552,1.0051,23.6795;1.6371,-2.131,23.5793;2.2365,-2.7957,23.2047;.8955,-1.9934,22.97;6.0933,1.7825,20.8254;6.5206,1.2136,20.2267;1.174,-1.2916,25.8135;1.1398,-2.5519,24.9747;.237,-2.9043,24.9246;1.7195,-3.2303,25.3545;4.0697,.3259,20.5986;3.2989,.6591,20.1132;4.6392,-.1457,19.9708;5.9737,3.9481,21.9861;5.4829,4.4527,21.3161;6.5425,4.5678,22.4688;5.0046,3.3196,22.9383;5.4982,2.9156,23.669;4.4351,4.0109,23.3129;6.8167,2.9365,21.3108;