D04JNI -OEChem-04152108462D 60 65 0 0 0 0 0 0 0999 V2000 7.4851 -3.5491 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9945 0.8243 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7312 -0.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7742 -0.7829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -2.2444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 -3.5534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.0123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 2.3024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 3.6104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7957 -0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4421 -1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0849 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4851 -1.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4206 -1.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0634 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -3.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -2.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 -1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5933 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 1.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 1.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 2.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2205 3.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8385 2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9431 3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7752 -0.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1819 -0.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9157 -1.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6733 -2.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0643 0.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4711 0.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4411 -1.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0344 -1.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5898 0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8321 0.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 -2.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 -1.3457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -1.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 2.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0087 1.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4862 1.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8602 1.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 3.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3401 1.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5095 3.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 28 1 0 0 0 0 2 30 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 27 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 8 51 1 0 0 0 0 9 29 1 0 0 0 0 9 30 2 0 0 0 0 10 34 1 0 0 0 0 10 36 2 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 M END $$$$