B1W5NJ -OEChem-04022114433D 66 67 0 1 0 0 0 0 0999 V2000 -2.5606 -2.3411 1.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6724 0.3217 -1.4377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7655 1.6410 -1.9822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 2.5111 1.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 3.3489 -0.4445 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 1.9135 1.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 -0.1825 0.7243 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7273 -1.1061 0.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 1.0222 0.1639 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 2.6405 -0.2654 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2828 -0.6967 -0.4656 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1372 -2.0802 -0.6042 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4466 -0.0258 0.3334 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 -1.5974 0.5088 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2957 -1.9279 1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 -2.4613 1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9539 -0.3008 -0.1471 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4168 -0.3953 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 -1.3390 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4683 2.1233 0.1595 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2600 0.6782 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 0.6651 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.5069 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 2.8858 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7345 0.5964 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8307 1.8524 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 3.0727 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0842 2.7304 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 -3.4958 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 -1.5604 0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9236 2.6390 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 -3.5385 -1.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1948 -1.6028 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -2.5919 -1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5458 -0.8918 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 -1.7816 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 -1.7461 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 -2.9798 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 -3.4896 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -2.1070 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8533 -0.4864 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7968 -1.3936 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5143 -0.2855 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8443 0.1884 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4263 -0.2617 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 2.1919 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 1.6791 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1586 0.5742 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 1.3001 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 2.6236 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4034 3.9630 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 2.8119 -1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8374 0.7291 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2654 1.4135 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 3.5294 0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 3.8168 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -4.2375 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9062 -0.7925 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4952 -4.3081 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9754 -0.8664 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2777 -2.6249 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7775 3.2075 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1231 -2.2525 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6008 -2.8204 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4189 -0.2879 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1784 0.8958 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 22 2 0 0 0 0 3 26 2 0 0 0 0 4 28 2 0 0 0 0 5 31 1 0 0 0 0 5 62 1 0 0 0 0 6 31 2 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 7 44 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 45 1 0 0 0 0 9 17 1 0 0 0 0 9 26 1 0 0 0 0 9 49 1 0 0 0 0 10 20 1 0 0 0 0 10 28 1 0 0 0 0 10 52 1 0 0 0 0 11 25 1 0 0 0 0 11 35 2 0 0 0 0 12 35 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 35 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 23 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 33 2 0 0 0 0 30 58 1 0 0 0 0 32 34 2 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 M END $$$$