B1TMJ6 -OEChem-04042105253D 69 72 0 1 0 0 0 0 0999 V2000 4.2251 1.4102 4.1212 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9992 3.0354 -0.4621 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 -0.8402 1.8087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 3.4525 -0.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9423 -1.3613 -0.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2184 -1.9363 0.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1062 4.4077 -0.9429 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 2.7780 0.9436 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 -3.4303 -1.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.4118 -1.0743 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7236 -1.3679 -0.1915 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 0.4810 0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2404 -0.2756 0.9562 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 1.5872 -0.4892 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5721 0.2715 -0.1757 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6593 -0.6781 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3256 0.3232 -1.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 -1.0190 -1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7162 2.4699 -1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0529 -2.5316 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 2.4182 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0208 0.6097 -3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 2.1830 -1.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -2.0344 -2.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8494 -0.3640 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -2.3311 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9544 0.0947 1.5417 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3040 -0.4141 -4.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -1.7353 -3.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 -1.4043 1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 -2.9833 -0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7888 -0.5602 2.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 -1.2362 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 2.2256 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 -0.6722 2.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 -2.8166 -0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -0.3760 2.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6299 0.6725 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0231 0.1941 3.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 0.3419 3.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 2.1388 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 -0.2277 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 1.9781 -2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2184 3.4227 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6844 2.6966 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7303 1.2378 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 -2.7133 1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -3.4308 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 1.6376 -3.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 2.5552 -2.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 1.1243 -1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1706 -3.0867 -2.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9006 1.1813 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5635 -0.1793 -5.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4743 -2.5383 -4.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 -3.7075 -1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8282 -1.6534 2.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5705 -0.2341 3.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 -0.3000 3.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9592 -0.2751 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 2.6941 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4582 1.1682 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 2.3527 -1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2974 -0.7887 2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2017 -0.2725 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5918 0.3677 -0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9089 0.7014 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7521 1.6832 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 0.7378 3.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 23 1 0 0 0 0 2 34 1 0 0 0 0 3 16 2 0 0 0 0 4 21 2 0 0 0 0 5 25 2 0 0 0 0 6 33 1 0 0 0 0 6 36 1 0 0 0 0 9 36 2 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 12 46 1 0 0 0 0 13 27 1 0 0 0 0 13 38 1 0 0 0 0 13 60 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 24 2 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 26 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 22 28 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 30 35 1 0 0 0 0 31 36 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 37 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 39 2 0 0 0 0 35 64 1 0 0 0 0 37 40 2 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 M END $$$$