RDKit 3D 50 54 0 0 0 0 0 0 0 0999 V2000 -0.6106 3.8126 -1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9356 2.7379 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 3.0043 0.7424 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 1.4608 -0.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 0.4853 0.1243 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9588 -0.0340 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -0.3620 -1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7925 -0.8598 -1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5659 -1.0267 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0338 -0.6994 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7449 -0.2096 1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -0.9600 2.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2538 -1.1174 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8552 -1.4853 0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -0.6829 0.1171 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9827 -1.5439 1.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 -2.3540 1.3868 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 -1.3331 2.2727 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -1.0782 1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7773 -0.2787 0.3919 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6084 -0.6378 -0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0262 -0.3076 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 0.9288 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8071 1.2563 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7267 0.3269 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3063 -0.9140 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -1.2031 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4234 -1.6182 0.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4901 -0.6904 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1012 0.3668 -0.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 4.4573 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2247 4.4535 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3029 3.2892 -2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4722 0.9657 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 -0.2237 -2.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -1.1180 -2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 0.0559 2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8681 -0.2078 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7427 -1.9984 1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -1.3112 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8373 -0.5114 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.0502 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8597 0.7989 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 -0.0969 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -1.7289 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7528 1.6383 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1626 2.2145 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 -2.1797 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4689 -1.1142 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 -0.3166 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 15 1 0 15 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 30 1 0 30 29 1 0 29 28 1 0 28 26 1 0 26 27 2 0 20 19 1 0 19 18 1 0 18 16 1 0 16 17 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 14 1 0 14 13 1 0 13 12 1 0 12 10 1 0 10 11 2 0 16 15 1 0 11 6 1 0 27 22 1 0 10 9 1 0 26 25 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 1 15 40 1 6 20 43 1 1 21 44 1 0 21 45 1 0 23 46 1 0 24 47 1 0 29 49 1 0 29 50 1 0 27 48 1 0 19 41 1 0 19 42 1 0 7 35 1 0 8 36 1 0 13 38 1 0 13 39 1 0 11 37 1 0 M END