B4MDR2 -OEChem-04012116182D 65 67 0 1 0 0 0 0 0999 V2000 5.4641 -0.9902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2283 -3.5445 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2398 -2.5561 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2399 -2.5330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5426 0.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 3.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.9890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4028 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3913 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 3.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2514 -1.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2746 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1232 -1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1348 -0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2399 -2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 2.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 2.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 0.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 0.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 3.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 0.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8508 -1.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 3.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2817 1.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6565 -1.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6752 0.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 30 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 37 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 6 16 2 0 0 0 0 7 21 2 0 0 0 0 13 8 1 1 0 0 0 8 21 1 0 0 0 0 8 41 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 0 0 0 0 9 53 1 0 0 0 0 10 27 1 0 0 0 0 10 29 1 0 0 0 0 10 57 1 0 0 0 0 11 25 1 0 0 0 0 11 32 2 0 0 0 0 12 27 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 54 1 0 0 0 0 25 28 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 34 2 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 34 63 1 0 0 0 0 35 36 2 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 M END $$$$