B3A4TN -OEChem-04022104283D 50 51 0 1 0 0 0 0 0999 V2000 2.1095 -1.6971 -1.5764 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7939 -1.4686 1.7886 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9139 1.1480 -0.6362 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 0.7412 -0.1686 N 0 0 1 0 0 0 0 0 0 0 0 0 3.2754 -0.4408 0.1329 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2850 -1.5709 -0.1609 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1567 0.5117 0.4805 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9765 -1.0260 0.4476 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5581 -0.4082 -0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 1.9764 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3357 0.8758 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4449 2.1104 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 1.2220 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 -2.9197 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 0.9563 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 1.4272 1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 0.3280 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6397 0.0299 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5981 -0.6025 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9556 -0.9287 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 -0.2645 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -0.4532 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 0.8583 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 -1.3566 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3349 -0.4470 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1828 -1.2784 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 1.9947 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5023 2.8451 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 0.9528 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7207 0.8357 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9858 3.0002 -0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 2.2610 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 2.3062 -0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 0.9081 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 -3.6833 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9907 -2.8792 1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -3.2652 -0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.3858 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0818 -1.1661 2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 0.6122 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4707 1.8592 1.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 2.2291 1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1705 -0.0028 -1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8504 0.3185 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4094 -0.9158 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0925 -2.0156 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0214 -0.6032 1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0443 -0.5213 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0477 -0.5841 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6431 1.5319 -1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 38 1 0 0 0 0 2 8 1 0 0 0 0 2 39 1 0 0 0 0 3 21 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 M END $$$$