B3AQ9G -OEChem-04022100422D 59 62 0 1 0 0 0 0 0999 V2000 8.8564 4.0169 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.2507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.6228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.3268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.4569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8994 1.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8027 2.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2728 3.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8027 3.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6687 2.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6687 4.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5347 2.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5347 3.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3532 0.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4258 2.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 2.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 0.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 0.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -1.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3946 1.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1522 1.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 0.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6277 0.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6751 1.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6528 3.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 2.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0218 3.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6687 1.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6687 4.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0716 2.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0716 4.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 2.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 1.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 50 1 0 0 0 0 5 20 1 0 0 0 0 5 56 1 0 0 0 0 5 57 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 31 1 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 15 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 20 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 23 2 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 45 1 0 0 0 0 18 24 2 0 0 0 0 19 21 1 0 0 0 0 19 25 2 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 27 2 0 0 0 0 22 48 1 0 0 0 0 23 26 1 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 24 51 1 0 0 0 0 25 29 1 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 M END $$$$