B1RXW4 -OEChem-04012118472D 45 47 0 0 0 0 0 0 0999 V2000 6.2619 -0.1217 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 2.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 3.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -3.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 2.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 1.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 1.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -1.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -0.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -3.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -0.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -1.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -0.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7249 -3.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5719 -4.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -3.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 3.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 45 1 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 10 13 2 0 0 0 0 11 18 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$