D0J4NQ -OEChem-10191522432D 80 79 0 1 0 0 0 0 0999 V2000 18.4545 -0.2500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 19.3205 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9545 0.6160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.9545 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.8564 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4186 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4186 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9904 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2583 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9555 0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1086 1.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8816 0.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8816 -1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7286 -1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9555 -0.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0946 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 22 1 0 0 0 0 3 30 1 0 0 0 0 27 4 1 6 0 0 0 4 80 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 26 8 1 1 0 0 0 8 78 1 0 0 0 0 8 79 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 22 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 23 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 24 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 25 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 28 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 31 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 69 1 0 0 0 0 27 29 1 0 0 0 0 27 70 1 0 0 0 0 28 29 2 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$