B8QR0C -OEChem-04012118042D 43 46 0 1 0 0 0 0 0999 V2000 3.7319 1.9590 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9389 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.6798 -1.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3177 -4.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9279 0.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6037 1.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2023 3.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 2.4489 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2420 1.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2219 2.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3298 -1.0974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4198 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 -1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3298 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 -2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 -0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0618 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3138 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0618 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4198 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1999 -2.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 1.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3138 1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 3.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4555 3.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3951 3.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2152 -1.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 -1.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8017 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 -3.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7738 -0.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9268 -0.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1538 -1.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8865 0.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4859 -3.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 1.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 3.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3975 4.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 4.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 4 20 2 0 0 0 0 5 21 2 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 6 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 14 22 2 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 23 2 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 41 1 0 0 0 0 30 42 1 0 0 0 0 M CHG 2 2 1 8 -1 M END $$$$