B1QA9R -OEChem-04012120282D 108110 0 1 0 0 0 0 0999 V2000 7.3870 -1.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5293 0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 -4.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 3.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 5.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 5.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 8.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2235 -0.2455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 -2.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 2.0710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 -4.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 4.6964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 7.0128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 7.0639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5724 8.3740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 9.0321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1190 -1.2400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0326 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7017 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 -1.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 -3.2400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5209 -2.7400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4804 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 -1.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6883 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 -4.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 -3.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1531 3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4099 3.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6549 -6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 6.3436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6453 7.3729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8532 8.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 5.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 6.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4589 3.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 6.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 -7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 9.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 8.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2416 7.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7889 -7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 -7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 7.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 8.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7889 -8.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 -8.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0724 9.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 -9.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 -0.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7226 -2.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5341 -2.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 -1.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2033 -0.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7681 0.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0101 0.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 -3.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7899 -3.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1315 -1.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 -1.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0168 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3449 -2.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 -3.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 -3.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 -0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3449 -1.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3555 1.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 -6.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1315 -5.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 3.9098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 6.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 -5.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 -6.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 6.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2635 8.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2075 4.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 6.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6533 6.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2673 3.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 3.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6505 2.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 7.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 9.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 9.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 8.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 8.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3939 8.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 9.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 6.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0579 -7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9558 8.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6920 7.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -9.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0579 -9.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8203 9.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 8.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 7.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 6.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 -9.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 24 2 0 0 0 0 3 27 2 0 0 0 0 4 31 2 0 0 0 0 5 37 2 0 0 0 0 6 40 2 0 0 0 0 7 47 2 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 24 1 0 0 0 0 9 21 1 0 0 0 0 22 9 1 6 0 0 0 9 63 1 0 0 0 0 10 26 1 0 0 0 0 10 31 1 0 0 0 0 10 74 1 0 0 0 0 11 27 1 0 0 0 0 11 30 1 0 0 0 0 11 75 1 0 0 0 0 32 12 1 6 0 0 0 12 37 1 0 0 0 0 12 84 1 0 0 0 0 34 13 1 1 0 0 0 13 40 1 0 0 0 0 13 90 1 0 0 0 0 35 14 1 1 0 0 0 14 47 1 0 0 0 0 14 97 1 0 0 0 0 15 44 1 0 0 0 0 15 51 1 0 0 0 0 15100 1 0 0 0 0 16 48 1 0 0 0 0 16 51 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 6 0 0 0 17 54 1 0 0 0 0 18 19 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 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 61 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 1 0 0 0 23 62 1 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 33 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 32 1 0 0 0 0 32 39 1 0 0 0 0 32 78 1 0 0 0 0 33 41 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 35 82 1 0 0 0 0 36 42 1 0 0 0 0 36 43 1 0 0 0 0 36 83 1 0 0 0 0 38 44 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 41 45 2 0 0 0 0 41 46 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 44 48 2 0 0 0 0 45 49 1 0 0 0 0 45 98 1 0 0 0 0 46 50 2 0 0 0 0 46 99 1 0 0 0 0 47 52 1 0 0 0 0 48101 1 0 0 0 0 49 53 2 0 0 0 0 49102 1 0 0 0 0 50 53 1 0 0 0 0 50103 1 0 0 0 0 51104 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 52107 1 0 0 0 0 53108 1 0 0 0 0 M END $$$$