L2Y5XJ -OEChem-05022321453D 75 78 0 1 0 0 0 0 0999 V2000 -2.9663 2.7669 -0.3304 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7265 -1.3411 0.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 0.9468 -0.0386 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0244 -0.0234 -1.0064 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5454 0.1563 -1.0415 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1251 -0.0408 0.3895 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1508 0.5357 -0.3035 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1731 0.6383 1.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 0.1222 -2.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 0.1733 0.4137 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3568 0.7740 1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 0.3639 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 -0.8427 -2.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 1.4705 0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4527 2.4431 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 -0.5316 -0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 -0.4304 1.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6663 -0.9860 -1.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 1.6760 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8567 -0.7138 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6457 1.0580 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 -0.5449 1.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 -1.3346 0.6004 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1166 1.6011 1.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1235 -0.3090 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5679 -0.5784 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1734 -1.9052 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1546 -2.0192 1.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5067 -3.1252 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 -1.0529 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.1637 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9436 -1.0983 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3045 -0.4596 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -0.3820 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 1.3051 2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -0.7726 -2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 0.9719 -2.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 1.8358 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 0.4479 2.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6104 1.2427 -2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 -0.4879 -2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9887 -0.5194 -3.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 -1.8368 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 2.6780 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8557 2.7425 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 3.1046 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 -1.4357 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 0.1685 2.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1913 -1.4967 -2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7397 2.2113 1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8396 0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5927 2.1666 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2182 -1.3406 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3521 0.2545 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7234 1.0961 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 1.8266 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2307 0.4498 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 -1.0366 2.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9613 -2.3745 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.6380 2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3517 2.3203 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0484 2.0156 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 3.3868 0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4724 -1.0981 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0585 -0.3331 1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 -1.8509 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6212 -0.5511 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2032 0.2422 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2251 -1.9103 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 -1.1312 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7373 -2.8883 2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 -2.1434 2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4647 -3.2298 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0342 -4.0427 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5241 -3.0536 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 63 1 0 0 0 0 2 23 1 0 0 0 0 2 66 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 21 1 0 0 0 0 14 24 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 25 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 M END $$$$