TITL 97SRC009 Pbca OpenBabel08200911563D 43 46 0 0 0 0 0 0 0 0999 V2000 5.6736 2.3564 10.5102 Fe 0 0 0 0 0 7.5950 1.8227 10.0955 C 0 0 0 0 0 7.8939 1.4226 9.3111 H 0 0 0 0 0 7.1490 1.1526 11.2330 C 0 0 0 0 0 7.0978 0.2302 11.3402 H 0 0 0 0 0 6.7880 2.1239 12.1949 C 0 0 0 0 0 6.4565 1.9506 13.0464 H 0 0 0 0 0 7.0155 3.3908 11.6461 C 0 0 0 0 0 6.8659 4.2082 12.0636 H 0 0 0 0 0 7.5170 3.1953 10.3329 C 0 0 0 0 0 7.7531 3.8664 9.7340 H 0 0 0 0 0 3.7227 2.1575 11.0275 C 0 0 0 0 0 3.4126 2.0323 11.8952 H 0 0 0 0 0 4.1081 1.1366 10.1520 C 0 0 0 0 0 4.0863 0.2248 10.3339 H 0 0 0 0 0 4.5312 1.7235 8.9580 C 0 0 0 0 0 4.8438 1.2718 8.2076 H 0 0 0 0 0 4.4021 3.1134 9.0895 C 0 0 0 0 0 4.6220 3.7396 8.4381 H 0 0 0 0 0 3.8780 3.4141 10.3858 C 0 0 0 0 0 3.3834 4.7239 10.9010 C 0 0 0 0 0 2.0695 4.7645 11.4382 C 0 0 0 0 0 1.1390 3.6790 11.3203 C 0 0 0 0 0 1.3978 2.9016 10.8803 H 0 0 0 0 0 -0.1101 3.7655 11.8380 C 0 0 0 0 0 -0.6939 3.0477 11.7443 H 0 0 0 0 0 -0.5388 4.9179 12.5128 C 0 0 0 0 0 -1.3923 4.9542 12.8802 H 0 0 0 0 0 0.2943 5.9743 12.6263 C 0 0 0 0 0 0.0080 6.7288 13.0886 H 0 0 0 0 0 1.6064 5.9643 12.0541 C 0 0 0 0 0 2.4060 7.0830 12.1126 C 0 0 0 0 0 2.1200 7.8345 12.5798 H 0 0 0 0 0 3.6435 7.0909 11.4724 C 0 0 0 0 0 4.4229 8.2981 11.4353 C 0 0 0 0 0 4.1066 9.0656 11.8543 H 0 0 0 0 0 5.6150 8.3240 10.7940 C 0 0 0 0 0 6.1011 9.1158 10.7534 H 0 0 0 0 0 6.1235 7.1584 10.1878 C 0 0 0 0 0 6.9477 7.1862 9.7579 H 0 0 0 0 0 5.4326 6.0086 10.2232 C 0 0 0 0 0 5.7928 5.2514 9.8211 H 0 0 0 0 0 4.1541 5.9167 10.8647 C 0 0 0 0 0 14 1 1 0 0 0 3 2 1 0 0 0 2 10 1 0 0 0 2 4 2 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 8 6 1 0 0 0 6 7 1 0 0 0 10 8 2 0 0 0 8 9 1 0 0 0 11 10 1 0 0 0 14 12 1 0 0 0 20 12 2 0 0 0 12 13 1 0 0 0 16 14 1 0 0 0 14 15 1 0 0 0 17 16 1 0 0 0 16 18 2 0 0 0 19 18 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 43 21 1 0 0 0 21 22 2 0 0 0 23 22 1 0 0 0 22 31 1 0 0 0 24 23 1 0 0 0 23 25 2 0 0 0 26 25 1 0 0 0 25 27 1 0 0 0 27 29 2 0 0 0 27 28 1 0 0 0 31 29 1 0 0 0 29 30 1 0 0 0 31 32 2 0 0 0 34 32 1 0 0 0 32 33 1 0 0 0 43 34 2 0 0 0 35 34 1 0 0 0 37 35 2 0 0 0 35 36 1 0 0 0 39 37 1 0 0 0 38 37 1 0 0 0 40 39 1 0 0 0 39 41 2 0 0 0 42 41 1 0 0 0 41 43 1 0 0 0 M END