B3BU8I -OEChem-04022117403D 72 74 0 1 0 0 0 0 0999 V2000 0.8545 -2.3054 -0.1359 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9392 3.5568 -0.1922 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -3.2487 -1.2104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -2.6355 1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 0.4662 -2.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 1.7674 0.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 -1.8240 -0.2082 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 0.5053 -1.0204 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9276 0.0886 -0.4966 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7939 1.0919 1.3782 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6993 0.8895 0.2229 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3171 -0.3893 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 -0.9012 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7663 -1.2439 -1.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 -0.9648 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -1.3026 -1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 -0.8074 -0.5791 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6359 -0.7774 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8437 -0.3891 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8331 -1.1619 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3984 0.8238 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 -1.8233 -1.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -1.2482 0.8319 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9055 0.8414 0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8324 -1.8037 2.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 0.0684 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 1.6473 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6425 0.4596 1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5637 1.2472 -0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9492 1.2534 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0245 0.5011 1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9888 0.0175 2.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5327 1.2742 -0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 2.2466 1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6896 1.6823 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3225 2.3979 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 0.6376 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -0.2533 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1761 -1.9026 1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 -2.2621 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 -0.8346 -2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 0.0456 0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9221 -1.3852 1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 -1.9604 -2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8467 -0.2966 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 -0.4674 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -0.0512 0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2029 -0.3615 -1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2333 -1.3194 0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 -2.1531 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4827 -0.4726 1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 -1.7137 -2.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7366 -1.7571 -1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 -2.8523 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0401 1.7456 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 0.8726 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 -1.9778 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 -1.1553 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 -2.7991 2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9239 -1.8917 2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 2.5283 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 0.9217 -1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0113 1.5511 -1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6574 0.2170 2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7237 -0.3585 3.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4649 0.8527 3.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2849 -0.8000 2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2134 1.2970 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2041 3.0750 1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4434 1.0288 -2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7721 1.6354 -1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4310 2.7139 -2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 36 1 0 0 0 0 5 8 1 0 0 0 0 5 62 1 0 0 0 0 6 27 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 9 26 2 0 0 0 0 9 33 1 0 0 0 0 10 26 1 0 0 0 0 10 34 2 0 0 0 0 11 30 1 0 0 0 0 11 31 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 27 61 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 29 63 1 0 0 0 0 30 35 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 36 2 0 0 0 0 33 68 1 0 0 0 0 34 36 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 M END $$$$