BA93DJ -OEChem-04012112243D 51 54 0 0 0 0 0 0 0999 V2000 -3.9846 -0.9248 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 -1.7582 1.2838 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 0.0516 1.5825 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6269 1.9885 2.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8857 0.4952 -1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 -0.7271 -0.4491 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6666 0.9039 1.3879 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3072 0.9724 2.0905 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2516 1.6410 0.9264 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 -0.5373 -0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 -1.1199 -0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8303 -1.2533 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 -0.4038 -0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 0.7442 -1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6872 -2.4013 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -2.5255 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -3.0985 0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 0.8684 -1.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 1.4413 -1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -0.3025 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 -1.0000 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 1.0080 -0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4944 -0.0238 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 0.6313 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 0.0741 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8199 0.7295 -1.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8749 -0.2274 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 1.7127 -1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1872 -0.0159 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 0.2825 1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0599 0.6894 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5751 1.1584 1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4367 0.9267 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7338 1.2516 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6532 -2.8790 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 -3.1260 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 0.0552 -1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 -4.0930 0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4939 1.4234 -1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2699 2.4318 -2.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3702 -0.3106 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 -0.1519 -2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 1.0098 -2.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0189 1.9339 -2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9405 1.0921 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1725 2.6674 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5125 -0.4067 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 0.1431 1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 1.7172 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9657 2.0205 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2199 1.8153 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 21 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 33 2 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 37 1 0 0 0 0 7 24 1 0 0 0 0 8 30 1 0 0 0 0 8 32 2 0 0 0 0 9 33 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$