BB1DM4 -OEChem-04022101503D 97102 0 1 0 0 0 0 0999 V2000 4.1624 -0.2905 0.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 1.5510 0.8757 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6529 -2.4153 -0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2511 -1.3286 -2.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 0.0452 -2.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7074 0.9246 1.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 -1.1421 0.2706 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0685 -0.4865 -0.6695 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5958 -0.0882 -0.4219 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8958 -0.3650 0.7745 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4956 -1.1315 0.6429 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7957 -1.8128 1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 -1.4526 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3881 -2.3015 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4902 0.4773 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7287 0.8357 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 0.5237 -1.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9343 -1.3946 1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 0.8936 -0.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8786 -0.2865 0.1055 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8147 -0.4557 -0.2749 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9312 -2.2735 -0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 0.9127 -0.4003 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1193 -1.4210 -1.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3708 -0.8737 1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7452 0.8376 -1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5889 0.6181 1.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 2.2228 0.4277 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3694 -2.8897 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.3693 2.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3650 0.1310 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5902 1.4238 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7495 2.5211 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8713 -1.3750 -0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3734 3.3861 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3246 3.6245 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0775 -0.0454 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4017 0.0955 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4823 0.3435 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8513 0.4943 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0535 0.7965 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9452 0.3361 -1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3492 0.9409 1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2410 0.4805 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4430 0.7829 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5165 0.7314 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 -0.3513 1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 -2.6544 1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6783 -1.1154 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 -2.7445 2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4304 -3.1076 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 1.7085 -0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 0.9601 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 -0.1471 -2.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 1.4494 -1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6162 -1.7588 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9829 -2.2836 0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2629 1.1155 -1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 -0.8954 -1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6546 -1.9450 -1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -3.1389 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0789 -2.6695 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 1.5735 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1385 -2.4588 -1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 -1.4388 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -1.1001 -2.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0097 -1.7016 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4237 -0.1257 2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2074 1.4085 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1487 0.1155 2.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 1.0847 2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 1.4344 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0177 2.0848 1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -3.0536 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 -3.6464 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 -3.0924 -0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -0.3636 2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 -1.6358 2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -2.0579 2.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9570 -0.6609 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7895 0.2537 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3287 1.2933 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6575 1.6747 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4957 3.5693 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6139 4.3111 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3144 3.1877 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7369 2.4510 0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7518 4.4283 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4026 3.7507 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6610 -3.1311 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4408 -0.0310 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3868 0.4352 -1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2327 0.9486 1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8066 0.0994 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 1.1810 2.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0848 0.3548 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3398 0.7820 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 37 1 0 0 0 0 2 23 1 0 0 0 0 2 87 1 0 0 0 0 3 34 1 0 0 0 0 3 90 1 0 0 0 0 4 34 2 0 0 0 0 5 37 2 0 0 0 0 6 45 1 0 0 0 0 6 97 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 17 1 0 0 0 0 9 46 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 19 1 0 0 0 0 15 26 2 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 26 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 25 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 19 58 1 0 0 0 0 20 25 1 0 0 0 0 20 31 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 33 1 0 0 0 0 28 35 1 0 0 0 0 28 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 32 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 33 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 36 2 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 91 1 0 0 0 0 39 40 1 0 0 0 0 39 92 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 93 1 0 0 0 0 42 44 2 0 0 0 0 42 94 1 0 0 0 0 43 45 2 0 0 0 0 43 95 1 0 0 0 0 44 45 1 0 0 0 0 44 96 1 0 0 0 0 M END $$$$