B2PJC3 -OEChem-04012119332D 59 63 0 0 0 0 0 0 0999 V2000 6.3817 -1.2709 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 1.7879 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6301 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 -2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 -1.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0475 -1.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5224 -2.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 -2.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2127 -1.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 2.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4636 2.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1176 0.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5161 -0.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9927 2.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1957 2.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1957 -0.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9927 -0.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0708 1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6723 1.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6723 -0.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0708 0.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3773 2.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -1.5683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 0.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 -2.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3636 -2.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 24 1 0 0 0 0 3 20 2 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 28 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 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 11 1 0 0 0 0 9 12 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 M END $$$$