BVTZ25 -OEChem-04012113582D 40 42 0 0 0 0 0 0 0999 V2000 9.2619 3.3424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 5.0744 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.6103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.4150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -1.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -2.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 4.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 4.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 -4.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -0.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 0.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -0.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -2.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -2.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -2.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.9203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 3.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 1.9394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 4.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -5.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 18 2 0 0 0 0 8 16 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 14 16 2 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 34 1 0 0 0 0 19 25 3 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$