LE89VQ -OEChem-05022323573D 64 66 0 1 0 0 0 0 0999 V2000 -1.9489 -0.4406 -1.7803 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -1.3038 -2.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -3.3944 1.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6086 -2.0590 -0.0759 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5663 3.6096 -0.1932 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 3.3978 -1.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8937 1.5407 2.1809 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 -1.6839 -0.1088 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9026 -2.6802 0.0865 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0092 -0.5196 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0203 -3.8972 -0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 0.1500 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0972 -1.1358 -1.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7185 1.2264 0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -2.4765 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2153 -0.3071 2.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 -1.7175 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9542 1.8458 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 0.3125 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8205 1.3889 1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 -1.6418 1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -1.0809 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1087 -0.2928 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9213 -0.9295 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 -0.3686 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3277 0.4446 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3393 2.9693 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8448 0.1289 -3.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 1.0582 0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1781 1.7693 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 0.5423 -1.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6773 1.8671 -0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0018 1.2534 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9012 2.4243 1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0065 -2.2379 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 -3.0540 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 -0.8949 1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2679 0.2370 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8946 -3.6239 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -4.6379 -0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9951 -4.3822 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5466 -1.2773 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 1.5698 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9398 -1.1462 2.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1252 -0.0444 3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7917 1.8333 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6205 -2.1332 2.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 -1.1366 -1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 -0.9246 1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 0.1302 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 -0.6584 -3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6478 0.8542 -3.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 0.6466 -3.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6254 1.0261 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3528 0.0557 -2.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 2.4156 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3951 1.3236 -2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 2.7442 2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3961 3.3393 1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8177 4.3910 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2525 3.3462 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9647 4.1876 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6262 1.3291 1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 2.0343 2.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 28 1 0 0 0 0 2 13 2 0 0 0 0 3 15 2 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 42 1 0 0 0 0 5 27 1 0 0 0 0 5 60 1 0 0 0 0 5 61 1 0 0 0 0 6 27 2 0 0 0 0 6 62 1 0 0 0 0 7 34 1 0 0 0 0 7 63 1 0 0 0 0 7 64 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 16 44 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 47 1 0 0 0 0 22 25 2 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 29 1 0 0 0 0 26 31 2 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 M END $$$$