D0G8NJ -OEChem-10121501092D 88 93 0 1 0 0 0 0 0999 V2000 10.9540 -2.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3536 -0.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2094 -2.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 -1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7071 1.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9554 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2483 -1.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5808 -0.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 2.1163 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1621 0.9988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 0.1532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9668 0.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2526 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5891 -0.8837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9460 1.3731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6372 1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0314 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6486 -1.1175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3746 -0.3112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9679 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3061 3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6589 2.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 3.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9114 -1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9832 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0198 0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 3.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5317 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6650 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6440 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9566 -0.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3102 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2892 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9356 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6018 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6427 2.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2470 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6937 -0.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5282 1.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 0.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2246 -0.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3724 0.7459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2503 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6509 2.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6444 0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0451 1.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 -1.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 -0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9201 3.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 3.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5602 3.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 3.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1611 0.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8001 -2.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5372 -2.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0625 -1.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 3.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 3.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0758 -2.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 -3.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9877 -3.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1926 -0.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4712 1.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 3.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 3.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 2.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5436 -0.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1164 1.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2317 2.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4489 3.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0538 2.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1197 -1.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1689 -2.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0443 -2.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7094 0.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6601 1.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7847 1.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 1 28 1 0 0 0 0 20 2 1 1 0 0 0 2 30 1 0 0 0 0 3 25 1 0 0 0 0 3 34 1 0 0 0 0 4 25 2 0 0 0 0 5 30 2 0 0 0 0 6 33 1 0 0 0 0 6 37 1 0 0 0 0 7 41 1 0 0 0 0 7 44 1 0 0 0 0 8 42 1 0 0 0 0 8 45 1 0 0 0 0 9 43 1 0 0 0 0 9 46 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 11 21 1 0 0 0 0 11 27 1 0 0 0 0 11 63 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 47 1 6 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 48 1 6 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 1 0 0 0 15 51 1 0 0 0 0 16 21 1 0 0 0 0 16 52 1 1 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 32 2 0 0 0 0 29 67 1 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 32 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 36 2 0 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 42 1 0 0 0 0 39 78 1 0 0 0 0 40 41 2 0 0 0 0 40 79 1 0 0 0 0 41 43 1 0 0 0 0 42 43 2 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 M END $$$$